Molecule

ID:83043

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀Cl₃NO₂
Molecular Mass
354.6151
Exact Mass
352.97771161
Charge
0
InChI
InChI=1S/C16H10Cl3NO2/c17-13-5-1-11(2-6-13)15(19)9-10-20-22-16(21)12-3-7-14(18)8-4-12/h1-10H
InChIKey
CCJZSNDUCRJVMO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)/C(=C/C=N/OC(=O)c1ccc(cc1)Cl)/Cl
Isomeric Smiles
N(=C\C=C(\c1ccc(cc1)Cl)/Cl)/OC(=O)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.546164
LogD (pH = 7.4)
5.5461698
Log P
5.5461698
Molar Refractivity
90.104
Polarizability
34.195885
Polar Surface Area
38.66
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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