Molecule

ID:69931

General Information
Structure
MolImage
Molecular Formula
C₇H₇NO₂
Molecular Mass
137.13598
Exact Mass
137.04767847
Charge
0
InChI
InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3
InChIKey
YNBADRVTZLEFNH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccnc1
Isomeric Smiles
C(=O)(c1cccnc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.75689274
LogD (pH = 7.4)
0.75902313
Log P
0.75905037
Molar Refractivity
35.9264
Polarizability
13.865923
Polar Surface Area
39.19
Rotatable Bonds
2
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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