Molecule

ID:79177

General Information
Structure
MolImage
Molecular Formula
C₁₄H₆Cl₃N₃O₃
Molecular Mass
370.57474
Exact Mass
368.94747411
Charge
0
InChI
InChI=1S/C14H6Cl3N3O3/c15-7-1-3-9(12(17)5-7)13-18-19-14(23-13)10-6-8(20(21)22)2-4-11(10)16/h1-6H
InChIKey
VBVLMNUQUDBXAF-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)c1nnc(o1)c1cc(ccc1Cl)[N+](=O)[O-]
Isomeric Smiles
o1c(nnc1c1c(ccc(c1)[N+](=O)[O-])Cl)c1c(cc(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.7563443
LogD (pH = 7.4)
4.7563443
Log P
4.7563443
Molar Refractivity
108.9259
Polarizability
33.655773
Polar Surface Area
84.74
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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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