Molecule

ID:55245

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃Cl₂N₃O
Molecular Mass
320.25792
Exact Mass
319.12181773
Charge
0
InChI
InChI=1S/C14H21N3O.2ClH/c1-11-7-12(2)9-13(8-11)16-14(18)10-17-5-3-15-4-6-17;;/h7-9,15H,3-6,10H2,1-2H3,(H,16,18);2*1H
InChIKey
MXDQHOAPXYKTAD-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(C)cc(c1)C)CN1CCNCC1.Cl.Cl
Isomeric Smiles
C(=O)(Nc1cc(cc(c1)C)C)CN1CCNCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
13.526098
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.427861
LogD (pH = 7.4)
0.07321628
Log P
1.5933691
Molar Refractivity
75.1878
Polarizability
28.430595
Polar Surface Area
44.37
Rotatable Bonds
3
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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