Molecule

ID:85456

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂ClNO₂
Molecular Mass
285.72498
Exact Mass
285.05565631
Charge
0
InChI
InChI=1S/C16H12ClNO2/c1-10-5-6-14-13(7-10)16(19)20-15(18-14)12-4-2-3-11(8-12)9-17/h2-8H,9H2,1H3
InChIKey
VBKBGUGLHHTLQT-UHFFFAOYSA-N
Canonic Smiles
ClCc1cccc(c1)c1nc2ccc(cc2c(=O)o1)C
Isomeric Smiles
n1c(c2cccc(c2)CCl)oc(=O)c2c1ccc(c2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.457439
LogD (pH = 7.4)
4.457439
Log P
4.457439
Molar Refractivity
81.0187
Polarizability
29.719807
Polar Surface Area
38.66
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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