Molecule

ID:101821

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉Cl₂N₃
Molecular Mass
252.18396
Exact Mass
251.09560298
Charge
0
InChI
InChI=1S/C10H17N3.2ClH/c1-9(2)7-12-13-8-10-5-3-4-6-11-10;;/h3-6,9,12-13H,7-8H2,1-2H3;2*1H
InChIKey
ZJOBBWJQULUSIV-UHFFFAOYSA-N
Canonic Smiles
CC(CNNCc1ccccn1)C.Cl.Cl
Isomeric Smiles
n1c(CNNCC(C)C)cccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.8105997
LogD (pH = 7.4)
1.236805
Log P
1.2461375
Molar Refractivity
74.9009
Polarizability
21.503748
Polar Surface Area
36.95
Rotatable Bonds
5
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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