Molecule

ID:57382

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅ClO₂
Molecular Mass
274.7421
Exact Mass
274.0760574
Charge
0
InChI
InChI=1S/C16H15ClO2/c1-2-19-15(18)16(17,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKey
MSBGLMWCKRSNHW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(c1ccccc1)(c1ccccc1)Cl
Isomeric Smiles
C(c1ccccc1)(Cl)(c1ccccc1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.414841
LogD (pH = 7.4)
4.414841
Log P
4.414841
Molar Refractivity
76.0508
Polarizability
29.863138
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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