Molecule

ID:84367

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₁Cl₃N₂O
Molecular Mass
365.64104
Exact Mass
363.99369602
Charge
0
InChI
InChI=1S/C17H11Cl3N2O/c1-10-13(9-21-12-7-5-11(18)6-8-12)17(22-23-10)16-14(19)3-2-4-15(16)20/h2-9H,1H3
InChIKey
WGILGXIYQPRWPU-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)/N=C/c1c(C)onc1c1c(Cl)cccc1Cl
Isomeric Smiles
n1c(c2c(cccc2Cl)Cl)c(c(o1)C)/C=N/c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.256811
LogD (pH = 7.4)
6.256823
Log P
6.256823
Molar Refractivity
97.1579
Polarizability
36.800735
Polar Surface Area
38.39
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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