Molecule

ID:89949

General Information
Structure
MolImage
Molecular Formula
C₆H₁₇Cl₂N₃
Molecular Mass
202.12528
Exact Mass
201.07995292
Charge
0
InChI
InChI=1S/C6H15N3.2ClH/c1-9-4-2-6(8-7)3-5-9;;/h6,8H,2-5,7H2,1H3;2*1H
InChIKey
SOFIVHWELUXEBE-UHFFFAOYSA-N
Canonic Smiles
NNC1CCN(CC1)C.Cl.Cl
Isomeric Smiles
N1(C)CCC(NN)CC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.2603774
LogD (pH = 7.4)
-2.7874103
Log P
-0.78330815
Molar Refractivity
50.3468
Polarizability
15.43642
Polar Surface Area
41.29
Rotatable Bonds
1
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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