Molecule

ID:45109

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁ClO₃
Molecular Mass
286.70974
Exact Mass
286.03967189
Charge
0
InChI
InChI=1S/C16H11ClO3/c1-19-13-5-2-10(3-6-13)16(18)15-9-11-8-12(17)4-7-14(11)20-15/h2-9H,1H3
InChIKey
AACRMSQFZNENME-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)c1cc2c(o1)ccc(c2)Cl
Isomeric Smiles
c1(oc2c(c1)cc(cc2)Cl)C(=O)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9580967
LogD (pH = 7.4)
3.9580967
Log P
3.9580967
Molar Refractivity
76.6201
Polarizability
30.738987
Polar Surface Area
39.44
Rotatable Bonds
3
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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