Molecule

ID:55799

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₉ClN₂O₂
Molecular Mass
352.89876
Exact Mass
352.19175586
Charge
0
InChI
InChI=1S/C19H28N2O2.ClH/c1-15-8-12-21(13-9-15)19(22)17-2-4-18(5-3-17)23-14-16-6-10-20-11-7-16;/h2-5,15-16,20H,6-14H2,1H3;1H
InChIKey
NBAABTVBYSCRJU-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)C(=O)c1ccc(cc1)OCC1CCNCC1.Cl
Isomeric Smiles
C1NCCC(C1)COc1ccc(cc1)C(=O)N1CCC(CC1)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.87611115
LogD (pH = 7.4)
-0.41533896
Log P
2.3553112
Molar Refractivity
93.058
Polarizability
36.00259
Polar Surface Area
41.57
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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