Molecule

ID:69824

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)6-2-4-8-5-3-6/h2-5H,1H3
InChIKey
OLXYLDUSSBULGU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccncc1
Isomeric Smiles
C(=O)(c1ccncc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7556813
LogD (pH = 7.4)
0.75900775
Log P
0.75905037
Molar Refractivity
35.9264
Polarizability
13.865979
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation