Molecule

ID:89305

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClO
Molecular Mass
246.732
Exact Mass
246.08114278
Charge
0
InChI
InChI=1S/C15H15ClO/c1-12-7-8-14(10-16)9-15(12)17-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3
InChIKey
RPZJKCRZVMZBLL-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(c(c1)OCc1ccccc1)C
Isomeric Smiles
ClCc1cc(c(cc1)C)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.6407113
LogD (pH = 7.4)
4.6407113
Log P
4.6407113
Molar Refractivity
72.0419
Polarizability
27.861216
Polar Surface Area
9.23
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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