Molecule

ID:57119

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆ClNO₂
Molecular Mass
325.78884
Exact Mass
325.08695644
Charge
0
InChI
InChI=1S/C19H16ClNO2/c1-3-12-8-9-16-14(10-12)15(19(20)22)11-17(21-16)13-6-4-5-7-18(13)23-2/h4-11H,3H2,1-2H3
InChIKey
LEOGHLMKJSTKHP-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc2c(c1)c(cc(n2)c1ccccc1OC)C(=O)Cl
Isomeric Smiles
c1(ccc2c(c1)c(cc(n2)c1ccccc1OC)C(=O)Cl)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.155201
LogD (pH = 7.4)
5.1552076
Log P
5.1552076
Molar Refractivity
91.9636
Polarizability
37.80951
Polar Surface Area
39.19
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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