Molecule

ID:89143

General Information
Structure
MolImage
Molecular Formula
C₄H₁₂Cl₂N₂
Molecular Mass
159.05748
Exact Mass
158.03775375
Charge
0
InChI
InChI=1S/C4H10N2.2ClH/c5-4-1-2-6-3-4;;/h4,6H,1-3,5H2;2*1H/t4-;;/m0../s1
InChIKey
NJPNCMOUEXEGBL-FHNDMYTFSA-N
Canonic Smiles
N[C@@H]1CNCC1.Cl.Cl
Isomeric Smiles
N1C[C@H](CC1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-6.116508
LogD (pH = 7.4)
-4.3484693
Log P
-1.0416604
Molar Refractivity
25.2098
Polarizability
10.427217
Polar Surface Area
38.05
Rotatable Bonds
0
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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