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1357302-64-7 molecular structure
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3-{4-[(1R,2S)-2-aminocyclopropyl]phenyl}phenol

ChemBase ID: 313210
Molecular Formular: C15H15NO
Molecular Mass: 225.2857
Monoisotopic Mass: 225.11536411
SMILES and InChIs

SMILES:
c1cc(cc(c1)c1ccc(cc1)[C@@H]1[C@H](C1)N)O
Canonical SMILES:
N[C@H]1C[C@@H]1c1ccc(cc1)c1cccc(c1)O
InChI:
InChI=1S/C15H15NO/c16-15-9-14(15)11-6-4-10(5-7-11)12-2-1-3-13(17)8-12/h1-8,14-15,17H,9,16H2/t14-,15+/m1/s1
InChIKey:
DSOJSZXQRJGBCW-CABCVRRESA-N

Cite this record

CBID:313210 http://www.chembase.cn/molecule-313210.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-{4-[(1R,2S)-2-aminocyclopropyl]phenyl}phenol
IUPAC Traditional name
3-{4-[(1R,2S)-2-aminocyclopropyl]phenyl}phenol
Synonyms
OG-L002
CAS Number
1357302-64-7

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Selleck Chemicals S7237 external link Add to cart
Data Source Data ID Price
Selleck Chemicals
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.039672  H Acceptors
H Donor LogD (pH = 5.5) -0.31391606 
LogD (pH = 7.4) 0.5486391  Log P 2.171096 
Molar Refractivity 68.8137 cm3 Polarizability 28.224096 Å3
Polar Surface Area 46.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Product Information Bioassay(PubChem)
Target
Histone demethylases expand Show data source
Salt Data
Free Base expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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