Molecule

ID:57131

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆ClNO₂
Molecular Mass
325.78884
Exact Mass
325.08695644
Charge
0
InChI
InChI=1S/C19H16ClNO2/c1-11-7-8-15-16(19(20)22)10-17(21-18(15)12(11)2)13-5-4-6-14(9-13)23-3/h4-10H,1-3H3
InChIKey
HMOAKRWTPAMKBZ-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)c1cc(C(=O)Cl)c2c(n1)c(C)c(cc2)C
Isomeric Smiles
c1c(c(c2c(c1)c(cc(n2)c1cccc(c1)OC)C(=O)Cl)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.2240076
LogD (pH = 7.4)
5.2240596
Log P
5.22406
Molar Refractivity
92.4038
Polarizability
37.72581
Polar Surface Area
39.19
Rotatable Bonds
3
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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