Molecule

ID:36204

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁Cl₂NO
Molecular Mass
292.15994
Exact Mass
291.02176934
Charge
0
InChI
InChI=1S/C15H11Cl2NO/c16-12-5-1-10(14(17)9-12)4-8-15(19)11-2-6-13(18)7-3-11/h1-9H,18H2/b8-4+
InChIKey
KWGJIGYFRVSOSI-XBXARRHUSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)/C=C/c1ccc(cc1Cl)Cl
Isomeric Smiles
C(=C\c1c(cc(cc1)Cl)Cl)/C(=O)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
16.809114
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.2684245
LogD (pH = 7.4)
4.2694755
Log P
4.269489
Molar Refractivity
81.187
Polarizability
30.20528
Polar Surface Area
43.09
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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