Molecule

ID:62481

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉ClN₂O
Molecular Mass
326.81996
Exact Mass
326.11859092
Charge
0
InChI
InChI=1S/C19H19ClN2O/c1-13-4-3-5-15-10-16(19(20)22-18(13)15)12-21-11-14-6-8-17(23-2)9-7-14/h3-10,21H,11-12H2,1-2H3
InChIKey
FXWIFPUYKQQKQS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNCc1cc2cccc(c2nc1Cl)C
Isomeric Smiles
n1c(c(cc2c1c(ccc2)C)CNCc1ccc(cc1)OC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.095202
LogD (pH = 7.4)
3.829544
Log P
4.593694
Molar Refractivity
95.2104
Polarizability
37.986122
Polar Surface Area
34.15
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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