Molecule

ID:89761

General Information
Structure
MolImage
Molecular Formula
C₇H₅NO₂
Molecular Mass
135.1201
Exact Mass
135.03202841
Charge
0
InChI
InChI=1S/C7H5NO2/c8-4-5-1-6(9)3-7(10)2-5/h1-3,9-10H
InChIKey
ABHOEQJNEOMTEK-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(O)cc(c1)O
Isomeric Smiles
Oc1cc(cc(c1)C#N)O
Calculated Properties
JChem
Acid pKa
8.174423
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.2212993
LogD (pH = 7.4)
1.1548493
Log P
1.2222114
Molar Refractivity
35.7414
Polarizability
13.385086
Polar Surface Area
64.25
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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