Molecule

ID:70253

General Information
Structure
MolImage
Molecular Formula
C₇H₅NO₃
Molecular Mass
151.1195
Exact Mass
151.02694303
Charge
0
InChI
InChI=1S/C7H5NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H
InChIKey
CMWKITSNTDAEDT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1[N+](=O)[O-]
Isomeric Smiles
C(=O)c1c(cccc1)[N+](=O)[O-]
Calculated Properties
JChem
LogD (pH = 7.4)
1.63
LogD (pH = 5.5)
1.63
Log P
1.63
Rotatable Bonds
2
H Donor
0
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
-7.45
Polar Surface Area
60.21
Polarizability
13.33
Molar Refractivity
38.96
LOG S
-2.05
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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