Molecule

ID:112526

General Information
Structure
MolImage
Molecular Formula
C₇H₇NO₂
Molecular Mass
137.13598
Exact Mass
137.04767847
Charge
0
InChI
InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
InChIKey
PLAZTCDQAHEYBI-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccccc1C
Isomeric Smiles
Cc1ccccc1[N+](=O)[O-]
Calculated Properties
JChem
LogD (pH = 7.4)
2.43
LogD (pH = 5.5)
2.43
Log P
2.43
Rotatable Bonds
1
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Polar Surface Area
43.14
Polarizability
13.26
Molar Refractivity
37.42
LOG S
-2.38
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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