Molecule

ID:78051

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClNO₃
Molecular Mass
185.56456
Exact Mass
184.98797067
Charge
0
InChI
InChI=1S/C7H4ClNO3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H
InChIKey
SKDHHIUENRGTHK-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
O=C(c1ccc(cc1)[N+](=O)[O-])Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1041427
LogD (pH = 7.4)
2.1041427
Log P
2.1041427
Molar Refractivity
43.4932
Polarizability
16.08007
Polar Surface Area
60.21
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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