Molecule

ID:56453

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄ClNO
Molecular Mass
295.76286
Exact Mass
295.07639175
Charge
0
InChI
InChI=1S/C18H14ClNO/c1-11-8-12(2)17-14(9-11)15(18(19)21)10-16(20-17)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKey
MVWNXEHEHMJASL-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c2c(c1)c(cc(n2)c1ccccc1)C(=O)Cl
Isomeric Smiles
n1c2c(c(cc1c1ccccc1)C(=O)Cl)cc(cc2C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.3816957
LogD (pH = 7.4)
5.381731
Log P
5.3817315
Molar Refractivity
85.9406
Polarizability
35.24816
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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