Molecule

ID:83602

General Information
Structure
Molecular Formula
C₂₃H₁₅Cl₂NO₂
Molecular Mass
408.2767
Exact Mass
407.04798409
Charge
0
InChI
InChI=1S/C23H15Cl2NO2/c24-19-20(16-10-4-1-5-11-16)26(18-14-8-3-9-15-18)22(28)23(25,21(19)27)17-12-6-2-7-13-17/h1-15H
InChIKey
YCSJNACFRLKMKN-UHFFFAOYSA-N
Canonic Smiles
ClC1=C(c2ccccc2)N(c2ccccc2)C(=O)C(C1=O)(Cl)c1ccccc1
Isomeric Smiles
N1(c2ccccc2)C(=O)C(c2ccccc2)(C(=O)C(=C1c1ccccc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.719856
LogD (pH = 7.4)
5.719856
Log P
5.719856
Molar Refractivity
111.7371
Polarizability
42.741783
Polar Surface Area
37.38
Rotatable Bonds
3
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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