Molecule

ID:84993

General Information
Structure
Molecular Formula
C₁₄H₁₃ClO₂
Molecular Mass
248.70482
Exact Mass
248.06040734
Charge
0
InChI
InChI=1S/C14H13ClO2/c15-11-6-3-10(4-7-11)5-8-12(16)14-9-1-2-13(14)17-14/h3-8,13H,1-2,9H2
InChIKey
HBAJHGLMERDARC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)/C=C/C(=O)C12CCCC2O1
Isomeric Smiles
O1C2(C1CCC2)C(=O)/C=C/c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9221573
LogD (pH = 7.4)
3.9221573
Log P
3.9221573
Molar Refractivity
67.4224
Polarizability
26.062454
Polar Surface Area
29.6
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
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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