Molecule

ID:30359

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃Cl₂N₃
Molecular Mass
316.26922
Exact Mass
315.12690311
Charge
0
InChI
InChI=1S/C15H21N3.2ClH/c1-11(2)18-14-8-4-3-7-13(14)17-15(18)12-6-5-9-16-10-12;;/h3-4,7-8,11-12,16H,5-6,9-10H2,1-2H3;2*1H
InChIKey
LLHHNYBJECNRQM-UHFFFAOYSA-N
Canonic Smiles
CC(n1c(nc2c1cccc2)C1CCCNC1)C.Cl.Cl
Isomeric Smiles
c1(nc2c(n1C(C)C)cccc2)C1CNCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7450542
LogD (pH = 7.4)
0.4113248
Log P
2.6391132
Molar Refractivity
73.7509
Polarizability
30.077972
Polar Surface Area
29.85
Rotatable Bonds
2
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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