Molecule

ID:84989

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClO₂
Molecular Mass
262.7314
Exact Mass
262.0760574
Charge
0
InChI
InChI=1S/C15H15ClO2/c16-12-7-4-11(5-8-12)6-9-13(17)15-10-2-1-3-14(15)18-15/h4-9,14H,1-3,10H2
InChIKey
DZUGPBOOSZGKFQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)/C=C/C(=O)C12CCCCC2O1
Isomeric Smiles
O1C2(C1CCCC2)C(=O)/C=C/c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.366726
LogD (pH = 7.4)
4.366726
Log P
4.366726
Molar Refractivity
72.0234
Polarizability
27.901413
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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