Molecule

ID:56384

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆ClNO
Molecular Mass
309.78944
Exact Mass
309.09204182
Charge
0
InChI
InChI=1S/C19H16ClNO/c1-3-13-5-7-14(8-6-13)18-11-16(19(20)22)15-10-12(2)4-9-17(15)21-18/h4-11H,3H2,1-2H3
InChIKey
BQBVJZAEMNCHTI-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)Cl)C
Isomeric Smiles
c1(c2c(nc(c1)c1ccc(cc1)CC)ccc(c2)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.826259
LogD (pH = 7.4)
5.8262997
Log P
5.8263
Molar Refractivity
90.5416
Polarizability
37.093693
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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