Molecule

ID:23702

General Information
Structure
MolImage
Molecular Formula
C₇H₇NO₂
Molecular Mass
137.13598
Exact Mass
137.04767847
Charge
0
InChI
InChI=1S/C7H7NO2/c1-10-7-6(5-9)3-2-4-8-7/h2-5H,1H3
InChIKey
PIFFMIDNNWOQLK-UHFFFAOYSA-N
Canonic Smiles
COc1ncccc1C=O
Isomeric Smiles
c1cnc(c(c1)C=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.9047474
LogD (pH = 7.4)
0.90486056
Log P
0.904862
Molar Refractivity
37.2618
Polarizability
13.864085
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