Molecule

ID:38279

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₅Cl₂N₅
Molecular Mass
334.2878
Exact Mass
333.14870119
Charge
0
InChI
InChI=1S/C14H23N5.2ClH/c1-15-14-11-9-19(2)7-5-12(11)17-13(18-14)10-4-3-6-16-8-10;;/h10,16H,3-9H2,1-2H3,(H,15,17,18);2*1H
InChIKey
ZFDNRNDIOGLJRM-UHFFFAOYSA-N
Canonic Smiles
CNc1nc(nc2c1CN(C)CC2)C1CCCNC1.Cl.Cl
Isomeric Smiles
n1c(nc2c(c1NC)CN(CC2)C)C1CNCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-3.8769956
LogD (pH = 7.4)
-1.2974204
Log P
0.93933916
Molar Refractivity
79.4061
Polarizability
29.523895
Polar Surface Area
53.08
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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