Molecule

ID:79746

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄ClNO
Molecular Mass
259.73076
Exact Mass
259.07639175
Charge
0
InChI
InChI=1S/C15H14NO.ClH/c1-13-5-7-14(8-6-13)15(17)9-12-16-10-3-2-4-11-16;/h2-12H,1H3;1H/q+1;/p-1
InChIKey
YJRJJOPHBRIRCR-UHFFFAOYSA-M
Canonic Smiles
Cc1ccc(cc1)C(=O)/C=C/[n+]1ccccc1.[Cl-]
Isomeric Smiles
[n+]1(ccccc1)/C=C/C(=O)c1ccc(cc1)C.[Cl-]
Calculated Properties
JChem
Acid pKa
12.837887
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.98932177
LogD (pH = 7.4)
-0.9893217
Log P
-0.98932177
Molar Refractivity
69.9226
Polarizability
26.479584
Polar Surface Area
20.95
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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