Molecule

ID:35205

General Information
Structure
Molecular Formula
C₁₇H₁₄ClNO₂
Molecular Mass
299.75156
Exact Mass
299.07130637
Charge
0
InChI
InChI=1S/C17H14ClNO2/c18-15-6-2-4-8-17(15)21-10-9-19-11-13(12-20)14-5-1-3-7-16(14)19/h1-8,11-12H,9-10H2
InChIKey
LEXJQXDFUWITRB-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cccc2)CCOc1ccccc1Cl
Isomeric Smiles
c1(cn(c2c1cccc2)CCOc1c(Cl)cccc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2562804
LogD (pH = 7.4)
4.2562804
Log P
4.2562804
Molar Refractivity
83.9822
Polarizability
33.191643
Polar Surface Area
31.23
Rotatable Bonds
5
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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