Molecule

ID:36199

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂ClNO
Molecular Mass
257.71488
Exact Mass
257.06074169
Charge
0
InChI
InChI=1S/C15H12ClNO/c16-14-4-2-1-3-11(14)7-10-15(18)12-5-8-13(17)9-6-12/h1-10H,17H2/b10-7+
InChIKey
NWJROPBGEICIOP-JXMROGBWSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)/C=C/c1ccccc1Cl
Isomeric Smiles
C(=C\c1c(Cl)cccc1)/C(=O)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
16.852781
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.664286
LogD (pH = 7.4)
3.6654294
Log P
3.6654441
Molar Refractivity
76.3822
Polarizability
28.33845
Polar Surface Area
43.09
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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