Molecule

ID:56322

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄ClNO
Molecular Mass
295.76286
Exact Mass
295.07639175
Charge
0
InChI
InChI=1S/C18H14ClNO/c1-11-7-8-13(12(2)9-11)17-10-15(18(19)21)14-5-3-4-6-16(14)20-17/h3-10H,1-2H3
InChIKey
AAVDSJVYHWBKPN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)c1nc2ccccc2c(c1)C(=O)Cl
Isomeric Smiles
c1(nc2c(c(c1)C(=O)Cl)cccc2)c1c(cc(cc1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.3817124
LogD (pH = 7.4)
5.381731
Log P
5.3817315
Molar Refractivity
85.9406
Polarizability
35.249065
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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