Molecule

ID:85580

General Information
Structure
Molecular Formula
C₇H₇NO₂
Molecular Mass
137.13598
Exact Mass
137.04767847
Charge
0
InChI
InChI=1S/C7H7NO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4,8H2
InChIKey
XGNXYCFREOZBOL-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)OCO2
Isomeric Smiles
O1c2ccc(cc2OC1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.73884195
LogD (pH = 7.4)
0.76717967
Log P
0.7675533
Molar Refractivity
36.5253
Polarizability
13.943926
Polar Surface Area
44.48
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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