Molecule

ID:54852

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅Cl₂N₃O₂
Molecular Mass
350.2839
Exact Mass
349.13238242
Charge
0
InChI
InChI=1S/C15H23N3O2.2ClH/c16-8-9-17-14-6-10-18(11-7-14)15(19)20-12-13-4-2-1-3-5-13;;/h1-5,14,17H,6-12,16H2;2*1H
InChIKey
KKIDEGGZJNWXJN-UHFFFAOYSA-N
Canonic Smiles
NCCNC1CCN(CC1)C(=O)OCc1ccccc1.Cl.Cl
Isomeric Smiles
C(=O)(N1CCC(CC1)NCCN)OCc1ccccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.2428846
LogD (pH = 7.4)
-2.178216
Log P
0.6076024
Molar Refractivity
78.6017
Polarizability
31.121605
Polar Surface Area
67.59
Rotatable Bonds
6
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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