NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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[(1R)-1-isothiocyanatopropyl]benzene
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IUPAC Traditional name
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[(1R)-1-isothiocyanatopropyl]benzene
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Synonyms
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(S)-(-)-1-Phenylpropyl isothiocyanate
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(S)-(-)-1-异硫氰酸苯丙酯
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CAS Number
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EC Number
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MDL Number
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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1
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H Donor
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0
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LogD (pH = 5.5)
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3.7332206
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LogD (pH = 7.4)
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3.7332206
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Log P
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3.7332206
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Molar Refractivity
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54.8845 cm3
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Polarizability
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21.622921 Å3
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Polar Surface Area
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12.36 Å2
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Rotatable Bonds
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3
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent