Molecule

ID:69468

General Information
Structure
MolImage
Molecular Formula
C₇H₅NO
Molecular Mass
119.1207
Exact Mass
119.03711379
Charge
0
InChI
InChI=1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H
InChIKey
CVNOWLNNPYYEOH-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)O
Isomeric Smiles
C(#N)c1ccc(cc1)O
Calculated Properties
JChem
LogD (pH = 7.4)
1.39
LogD (pH = 5.5)
1.52
Log P
1.53
Rotatable Bonds
0
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
7.81
Polar Surface Area
44.02
Polarizability
11.80
Molar Refractivity
33.76
LOG S
-1.22
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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