Molecule

ID:36201

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂ClNO
Molecular Mass
257.71488
Exact Mass
257.06074169
Charge
0
InChI
InChI=1S/C15H12ClNO/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10H,17H2/b10-3+
InChIKey
WEQIGXKAIRDXHQ-XCVCLJGOSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)Cl
Isomeric Smiles
C(=C\c1ccc(Cl)cc1)/C(=O)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
17.35207
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.663728
LogD (pH = 7.4)
3.6654224
Log P
3.6654441
Molar Refractivity
76.3822
Polarizability
28.331087
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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