Molecule

ID:57140

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆ClNO
Molecular Mass
309.78944
Exact Mass
309.09204182
Charge
0
InChI
InChI=1S/C19H16ClNO/c1-11-5-4-6-14(9-11)17-10-16(19(20)22)15-8-7-12(2)13(3)18(15)21-17/h4-10H,1-3H3
InChIKey
JAKBZEGKLZFUJD-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)c1cc(C(=O)Cl)c2c(n1)c(C)c(cc2)C
Isomeric Smiles
c1c(c(c2c(c1)c(cc(n2)c1cccc(c1)C)C(=O)Cl)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.895088
LogD (pH = 7.4)
5.895152
Log P
5.895153
Molar Refractivity
90.9818
Polarizability
37.013756
Polar Surface Area
29.96
Rotatable Bonds
2
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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