Molecule

ID:16426

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇Cl₂N₃
Molecular Mass
286.20018
Exact Mass
285.07995292
Charge
0
InChI
InChI=1S/C13H15N3.2ClH/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16;;/h1-6,14H,7-10H2;2*1H
InChIKey
NKSMLXMNONDXGH-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)c1ccc2c(n1)cccc2.Cl.Cl
Isomeric Smiles
c1(N2CCNCC2)nc2c(cc1)cccc2.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.6823596
LogD (pH = 7.4)
0.89164394
Log P
2.2974734
Molar Refractivity
65.4768
Polarizability
26.31171
Polar Surface Area
28.16
Rotatable Bonds
1
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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