Molecule

ID:126078

General Information
Structure
MolImage
Molecular Formula
C₇H₅NO
Molecular Mass
119.1207
Exact Mass
119.03711379
Charge
0
InChI
InChI=1S/C7H5NO/c1-2-4-7-6(3-1)5-8-9-7/h1-5H
InChIKey
KTZQTRPPVKQPFO-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)onc2
Isomeric Smiles
n1oc2ccccc2c1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.356669
LogD (pH = 7.4)
1.3566691
Log P
1.3566691
Molar Refractivity
33.8277
Polarizability
13.848135
Polar Surface Area
26.03
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
References
Bioactivity
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