Molecule

ID:62321

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉ClN₄
Molecular Mass
290.79116
Exact Mass
290.12982431
Charge
0
InChI
InChI=1S/C15H18N4.ClH/c1-11-5-2-8-14(17-11)19-15-9-3-6-13(18-15)12-7-4-10-16-12;/h2-3,5-6,8-9,12,16H,4,7,10H2,1H3,(H,17,18,19);1H
InChIKey
ALEIXHMPFURCKV-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(n1)Nc1cccc(n1)C1CCCN1.Cl
Isomeric Smiles
n1c(Nc2nc(ccc2)C)cccc1C1NCCC1.Cl
Calculated Properties
JChem
Acid pKa
13.6628895
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.0885975
LogD (pH = 7.4)
0.51909643
Log P
2.5556865
Molar Refractivity
75.461
Polarizability
29.19628
Polar Surface Area
49.84
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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