NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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[3-(hydroxycarbamoyl)propyl]phosphonic acid
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IUPAC Traditional name
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3-(hydroxycarbamoyl)propylphosphonic acid
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Synonyms
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N-Hydroxy-4-Phosphono-Butanamide
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
ALOGPS 2.1
Acid pKa
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1.8103299
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H Acceptors
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5
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H Donor
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4
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LogD (pH = 5.5)
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-4.398424
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LogD (pH = 7.4)
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-4.480134
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Log P
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-2.109232
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Molar Refractivity
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36.4276 cm3
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Polarizability
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14.495712 Å3
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Polar Surface Area
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106.86 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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Log P
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-1.07
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LOG S
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-0.67
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Solubility (Water)
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4.64e+01 g/l
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
DETAILS
DETAILS
DrugBank
PATENTS
PATENTS
PubChem Patent
Google Patent