Molecule

ID:84803

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇ClO₂
Molecular Mass
288.76868
Exact Mass
288.09170746
Charge
0
InChI
InChI=1S/C17H17ClO2/c1-13-6-2-5-9-16(13)17(19)20-11-10-14-7-3-4-8-15(14)12-18/h2-9H,10-12H2,1H3
InChIKey
MUFWYEICBVGVHT-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccccc1CCOC(=O)c1ccccc1C
Isomeric Smiles
O=C(c1ccccc1C)OCCc1ccccc1CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.0905204
LogD (pH = 7.4)
5.0905204
Log P
5.0905204
Molar Refractivity
82.359
Polarizability
31.599335
Polar Surface Area
26.3
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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