Molecule

ID:58337

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄ClNO
Molecular Mass
235.70936
Exact Mass
235.07639175
Charge
0
InChI
InChI=1S/C13H14ClNO/c1-9-5-6-10(14)7-13(9)15-11-3-2-4-12(16)8-11/h5-8,15H,2-4H2,1H3
InChIKey
RVZSMRGQORLIBN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1NC1=CC(=O)CCC1)Cl
Isomeric Smiles
C1CCC(=CC1=O)Nc1cc(ccc1C)Cl
Calculated Properties
JChem
Acid pKa
16.81424
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2110312
LogD (pH = 7.4)
3.2110314
Log P
3.2110314
Molar Refractivity
69.2235
Polarizability
25.239605
Polar Surface Area
29.1
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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