Molecule

ID:62667

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁Cl₂N₃O
Molecular Mass
306.23134
Exact Mass
305.10616767
Charge
0
InChI
InChI=1S/C13H19N3O.2ClH/c1-14-13(17)12-9-15-7-8-16(12)10-11-5-3-2-4-6-11;;/h2-6,12,15H,7-10H2,1H3,(H,14,17);2*1H
InChIKey
FMIDYDDGZJPDAS-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)C1CNCCN1Cc1ccccc1.Cl.Cl
Isomeric Smiles
N1(C(C(=O)NC)CNCC1)Cc1ccccc1.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.874881
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.3277128
LogD (pH = 7.4)
-0.64229196
Log P
0.48538727
Molar Refractivity
67.9049
Polarizability
26.752367
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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