Molecule

ID:92103

General Information
Structure
MolImage
Molecular Formula
C₇H₅NO₅
Molecular Mass
183.1183
Exact Mass
183.01677227
Charge
0
InChI
InChI=1S/C7H5NO5/c9-3-4-1-6(10)7(11)2-5(4)8(12)13/h1-3,10-11H
InChIKey
SDAAKNQPCGUCNH-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(O)c(cc1[N+](=O)[O-])O
Isomeric Smiles
O=Cc1c(cc(c(c1)O)O)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
6.2805805
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.9526186
LogD (pH = 7.4)
-0.08812027
Log P
1.0186017
Molar Refractivity
43.9285
Polarizability
15.508129
Polar Surface Area
103.35
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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