Molecule

ID:79748

General Information
Structure
Molecular Formula
C₁₅H₁₄ClNO₂
Molecular Mass
275.73016
Exact Mass
275.07130637
Charge
0
InChI
InChI=1S/C15H14NO2.ClH/c1-18-14-7-5-13(6-8-14)15(17)9-12-16-10-3-2-4-11-16;/h2-12H,1H3;1H/q+1;/p-1
InChIKey
SOZXJESQDYJYEQ-UHFFFAOYSA-M
Canonic Smiles
COc1ccc(cc1)C(=O)/C=C/[n+]1ccccc1.[Cl-]
Isomeric Smiles
[n+]1(ccccc1)/C=C/C(=O)c1ccc(cc1)OC.[Cl-]
Calculated Properties
JChem
Acid pKa
12.876209
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.6604145
LogD (pH = 7.4)
-1.6604146
Log P
-1.6604145
Molar Refractivity
71.3446
Polarizability
27.205944
Polar Surface Area
30.18
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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