Molecule

ID:57134

General Information
Structure
Molecular Formula
C₁₇H₁₄ClNO₂
Molecular Mass
299.75156
Exact Mass
299.07130637
Charge
0
InChI
InChI=1S/C17H14ClNO2/c1-9-4-6-12-13(17(18)20)8-14(19-16(12)11(9)3)15-7-5-10(2)21-15/h4-8H,1-3H3
InChIKey
LYMZIIWAWCYCMF-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(o1)c1cc(C(=O)Cl)c2c(n1)c(C)c(cc2)C
Isomeric Smiles
c1c(c(c2c(c1)c(cc(n2)c1ccc(o1)C)C(=O)Cl)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.641538
LogD (pH = 7.4)
4.6415396
Log P
4.6415396
Molar Refractivity
83.4812
Polarizability
33.821964
Polar Surface Area
43.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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