Molecule

ID:23194

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₅ClN₂O₂
Molecular Mass
360.8777
Exact Mass
360.16045573
Charge
0
InChI
InChI=1S/C20H25ClN2O2/c1-2-3-4-5-6-13-25-17-10-7-15(8-11-17)20(24)23-16-9-12-18(21)19(22)14-16/h7-12,14H,2-6,13,22H2,1H3,(H,23,24)
InChIKey
KWMPOGJSYOTMDI-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1ccc(cc1)C(=O)Nc1ccc(c(c1)N)Cl
Isomeric Smiles
C(=O)(Nc1cc(c(cc1)Cl)N)c1ccc(cc1)OCCCCCCC
Calculated Properties
JChem
Acid pKa
12.70265
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
5.3399143
LogD (pH = 7.4)
5.3401775
Log P
5.3401833
Molar Refractivity
105.2365
Polarizability
39.504234
Polar Surface Area
64.35
Rotatable Bonds
9
Lipinski's Rule of Five
false
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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