Molecule

ID:57117

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆ClNO
Molecular Mass
309.78944
Exact Mass
309.09204182
Charge
0
InChI
InChI=1S/C19H16ClNO/c1-3-13-7-8-17-15(10-13)16(19(20)22)11-18(21-17)14-6-4-5-12(2)9-14/h4-11H,3H2,1-2H3
InChIKey
ONFIPGQDVZTMPN-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc2c(c1)c(cc(n2)c1cccc(c1)C)C(=O)Cl
Isomeric Smiles
c1(ccc2c(c1)c(cc(n2)c1cccc(c1)C)C(=O)Cl)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.8262653
LogD (pH = 7.4)
5.8262997
Log P
5.8263
Molar Refractivity
90.5416
Polarizability
37.094875
Polar Surface Area
29.96
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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