Molecule

ID:55641

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁Cl₂N₃
Molecular Mass
254.19984
Exact Mass
253.11125305
Charge
0
InChI
InChI=1S/C10H19N3.2ClH/c1-7(2)11-6-10-12-8(3)9(4)13(10)5;;/h7,11H,6H2,1-5H3;2*1H
InChIKey
DPLHKVPNNYQVCB-UHFFFAOYSA-N
Canonic Smiles
CC(NCc1nc(c(n1C)C)C)C.Cl.Cl
Isomeric Smiles
n1c(n(c(c1C)C)C)CNC(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7250779
LogD (pH = 7.4)
-0.03401657
Log P
0.8142816
Molar Refractivity
55.3931
Polarizability
21.32501
Polar Surface Area
29.85
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
No Data Available
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Molecule Details
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References
Bioactivity
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