Molecule

ID:69723

General Information
Structure
Molecular Formula
C₇H₇NO₂
Molecular Mass
137.13598
Exact Mass
137.04767847
Charge
0
InChI
InChI=1S/C7H7NO2/c1-10-7(9)6-4-2-3-5-8-6/h2-5H,1H3
InChIKey
NMMIHXMBOZYNET-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccn1
Isomeric Smiles
c1(ccccn1)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9446957
LogD (pH = 7.4)
0.94489807
Log P
0.9449007
Molar Refractivity
35.5544
Polarizability
13.871754
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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