Molecule

ID:56765

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅ClO₂
Molecular Mass
274.7421
Exact Mass
274.0760574
Charge
0
InChI
InChI=1S/C16H15ClO2/c1-16(2,15(17)18)19-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKey
QZQPBPWAAZSNBB-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C(Oc1ccc(cc1)c1ccccc1)(C)C
Isomeric Smiles
C(C(=O)Cl)(Oc1ccc(c2ccccc2)cc1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.475643
LogD (pH = 7.4)
4.475643
Log P
4.475643
Molar Refractivity
76.8077
Polarizability
31.254452
Polar Surface Area
26.3
Rotatable Bonds
4
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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