Molecule

ID:62712

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁Cl₂N₃O
Molecular Mass
306.23134
Exact Mass
305.10616767
Charge
0
InChI
InChI=1S/C13H19N3O.2ClH/c14-13(17)12-10-15-7-9-16(12)8-6-11-4-2-1-3-5-11;;/h1-5,12,15H,6-10H2,(H2,14,17);2*1H
InChIKey
ASEGBYULFWYQKT-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1CNCCN1CCc1ccccc1.Cl.Cl
Isomeric Smiles
C1(N(CCc2ccccc2)CCNC1)C(=O)N.Cl.Cl
Calculated Properties
JChem
Acid pKa
16.387705
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.2652252
LogD (pH = 7.4)
-0.5800528
Log P
0.5503724
Molar Refractivity
67.7632
Polarizability
26.677053
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
Molecule Details
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References
Bioactivity
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