Molecule

ID:56672

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇ClO₂
Molecular Mass
288.76868
Exact Mass
288.09170746
Charge
0
InChI
InChI=1S/C17H17ClO2/c1-17(2,13-6-4-3-5-7-13)14-8-10-15(11-9-14)20-12-16(18)19/h3-11H,12H2,1-2H3
InChIKey
BSDHAJCIHFXUIR-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)COc1ccc(cc1)C(c1ccccc1)(C)C
Isomeric Smiles
C(c1ccc(OCC(=O)Cl)cc1)(c1ccccc1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.505748
LogD (pH = 7.4)
4.505748
Log P
4.505748
Molar Refractivity
91.7196
Polarizability
31.651522
Polar Surface Area
26.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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