Molecule

ID:129311

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₉ClN₂O₂
Molecular Mass
352.89876
Exact Mass
352.19175586
Charge
0
InChI
InChI=1S/C19H29ClN2O2/c1-3-4-9-22-10-7-14(8-11-22)5-6-18(23)15-12-16(20)17(21)13-19(15)24-2/h12-14H,3-11,21H2,1-2H3
InChIKey
JBHLYIVFFLNISJ-UHFFFAOYSA-N
Canonic Smiles
CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N
Isomeric Smiles
C(=O)(CCC1CCN(CC1)CCCC)c1c(cc(c(c1)Cl)N)OC
Calculated Properties
JChem
Acid pKa
16.820671
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.22536026
LogD (pH = 7.4)
1.5624948
Log P
3.5920358
Molar Refractivity
101.2052
Polarizability
38.798386
Polar Surface Area
55.56
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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