Molecule

ID:79170

General Information
Structure
MolImage
Molecular Formula
C₁₄H₇Cl₂N₃O₃
Molecular Mass
336.12968
Exact Mass
334.98644646
Charge
0
InChI
InChI=1S/C14H7Cl2N3O3/c15-9-3-1-2-8(6-9)13-17-18-14(22-13)11-7-10(19(20)21)4-5-12(11)16/h1-7H
InChIKey
OPPMRCCPCADVOV-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)c1nnc(o1)c1cc(ccc1Cl)[N+](=O)[O-]
Isomeric Smiles
o1c(nnc1c1cccc(c1)Cl)c1cc(ccc1Cl)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.1522994
LogD (pH = 7.4)
4.1522994
Log P
4.1522994
Molar Refractivity
104.1211
Polarizability
31.693712
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
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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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