Molecule

ID:23174

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClN₂O₂
Molecular Mass
290.7448
Exact Mass
290.08220541
Charge
0
InChI
InChI=1S/C15H15ClN2O2/c1-2-20-14-6-4-3-5-11(14)15(19)18-10-7-8-12(16)13(17)9-10/h3-9H,2,17H2,1H3,(H,18,19)
InChIKey
LHSHKYCBDXUNRW-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1C(=O)Nc1ccc(c(c1)N)Cl
Isomeric Smiles
C(=O)(c1c(OCC)cccc1)Nc1cc(c(cc1)Cl)N
Calculated Properties
JChem
Acid pKa
12.104357
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.0390925
LogD (pH = 7.4)
3.039374
Log P
3.039386
Molar Refractivity
82.3085
Polarizability
30.308226
Polar Surface Area
64.35
Rotatable Bonds
4
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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