Molecule

ID:124420

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃Cl₂N₃O
Molecular Mass
320.25792
Exact Mass
319.12181773
Charge
0
InChI
InChI=1S/C14H21N3O.2ClH/c15-13-6-8-17(9-7-13)11-14(18)16-10-12-4-2-1-3-5-12;;/h1-5,13H,6-11,15H2,(H,16,18);2*1H
InChIKey
HHELTSGNCSIXPM-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)CC(=O)NCc1ccccc1.Cl.Cl
Isomeric Smiles
N1(CC(=O)NCc2ccccc2)CCC(CC1)N.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.70184
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.0025363
LogD (pH = 7.4)
-2.7313254
Log P
0.02053714
Molar Refractivity
72.786
Polarizability
28.596457
Polar Surface Area
58.36
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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