Molecule

ID:56733

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅ClO₂
Molecular Mass
274.7421
Exact Mass
274.0760574
Charge
0
InChI
InChI=1S/C16H15ClO2/c1-2-15(16(17)18)19-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11,15H,2H2,1H3
InChIKey
DPIJNYBOYLZOCI-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)Cl)Oc1ccc(cc1)c1ccccc1
Isomeric Smiles
C(=O)(C(Oc1ccc(c2ccccc2)cc1)CC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.5653996
LogD (pH = 7.4)
4.5653996
Log P
4.5653996
Molar Refractivity
76.6184
Polarizability
31.2543
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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