Molecule

ID:62146

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉ClN₄
Molecular Mass
242.74836
Exact Mass
242.12982431
Charge
0
InChI
InChI=1S/C11H18N4.ClH/c1-12-11-6-10(14-8-15-11)5-9-3-2-4-13-7-9;/h6,8-9,13H,2-5,7H2,1H3,(H,12,14,15);1H
InChIKey
BEZLYSSPBMEVBN-UHFFFAOYSA-N
Canonic Smiles
CNc1ncnc(c1)CC1CCCNC1.Cl
Isomeric Smiles
n1c(cc(nc1)CC1CNCCC1)NC.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.6274216
LogD (pH = 7.4)
-1.9796298
Log P
0.61847436
Molar Refractivity
62.7508
Polarizability
23.282461
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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