Molecule

ID:79175

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈ClN₃O₃
Molecular Mass
301.68462
Exact Mass
301.02541881
Charge
0
InChI
InChI=1S/C14H8ClN3O3/c15-12-7-6-10(18(19)20)8-11(12)14-17-16-13(21-14)9-4-2-1-3-5-9/h1-8H
InChIKey
OHRWKPKNPGQIEH-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1c1nnc(o1)c1ccccc1)[N+](=O)[O-]
Isomeric Smiles
o1c(nnc1c1ccccc1)c1cc(ccc1Cl)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.548255
LogD (pH = 7.4)
3.548255
Log P
3.548255
Molar Refractivity
99.3163
Polarizability
29.774326
Polar Surface Area
84.74
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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