Molecule

ID:56629

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄ClNO₂
Molecular Mass
299.75156
Exact Mass
299.07130637
Charge
0
InChI
InChI=1S/C17H14ClNO2/c1-3-11-5-6-14-12(8-11)13(17(18)20)9-15(19-14)16-7-4-10(2)21-16/h4-9H,3H2,1-2H3
InChIKey
RDLXRQSNCRQXIF-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc2c(c1)c(cc(n2)c1ccc(o1)C)C(=O)Cl
Isomeric Smiles
c1(c2c(nc(c3oc(cc3)C)c1)ccc(c2)CC)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.572686
LogD (pH = 7.4)
4.5726867
Log P
4.5726867
Molar Refractivity
83.041
Polarizability
33.90101
Polar Surface Area
43.1
Rotatable Bonds
3
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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