Molecule

ID:36203

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁Cl₂NO
Molecular Mass
292.15994
Exact Mass
291.02176934
Charge
0
InChI
InChI=1S/C15H11Cl2NO/c16-13-3-1-2-11(15(13)17)6-9-14(19)10-4-7-12(18)8-5-10/h1-9H,18H2/b9-6+
InChIKey
XWLPBVMEGRCVDG-RMKNXTFCSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)/C=C/c1cccc(c1Cl)Cl
Isomeric Smiles
C(=C\c1c(c(Cl)ccc1)Cl)/C(=O)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
16.73916
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.268432
LogD (pH = 7.4)
4.2694755
Log P
4.269489
Molar Refractivity
81.187
Polarizability
30.235348
Polar Surface Area
43.09
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
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Molecule Details
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References
Bioactivity
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