Molecule

ID:85142

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₂ClNO₂
Molecular Mass
297.73568
Exact Mass
297.05565631
Charge
0
InChI
InChI=1S/C17H12ClNO2/c18-15-6-1-13(2-7-15)3-10-17(20)14-4-8-16(9-5-14)21-12-11-19/h1-10H,12H2
InChIKey
QOUGWVGHMBVRHX-UHFFFAOYSA-N
Canonic Smiles
N#CCOc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)Cl
Isomeric Smiles
N#CCOc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
17.014914
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8726308
LogD (pH = 7.4)
3.8726308
Log P
3.8726308
Molar Refractivity
83.2089
Polarizability
31.38925
Polar Surface Area
50.09
Rotatable Bonds
5
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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