Molecule

ID:19224

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉Cl₂N₃
Molecular Mass
240.17326
Exact Mass
239.09560298
Charge
0
InChI
InChI=1S/C9H17N3.2ClH/c1-9(2,3)8(10)6-12-5-4-11-7-12;;/h4-5,7-8H,6,10H2,1-3H3;2*1H
InChIKey
IBNJOMVWUURIJE-UHFFFAOYSA-N
Canonic Smiles
NC(C(C)(C)C)Cn1cncc1.Cl.Cl
Isomeric Smiles
n1(cncc1)CC(C(C)(C)C)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5734355
LogD (pH = 7.4)
-1.3550876
Log P
0.9635391
Molar Refractivity
49.6718
Polarizability
19.639923
Polar Surface Area
43.84
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
No Data Available
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Molecule Details
References
Bioactivity
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