Molecule

ID:134903

General Information
Structure
MolImage
Molecular Formula
C₄H₁₄Cl₂N₂
Molecular Mass
161.07336
Exact Mass
160.05340382
Charge
0
InChI
InChI=1S/C4H12N2.2ClH/c5-3-1-2-4-6;;/h1-6H2;2*1H
InChIKey
XXWCODXIQWIHQN-UHFFFAOYSA-N
Canonic Smiles
NCCCCN.Cl.Cl
Isomeric Smiles
C(CCN)CN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-6.8927712
LogD (pH = 7.4)
-6.0462546
Log P
-0.84512025
Molar Refractivity
27.3786
Polarizability
11.1656475
Polar Surface Area
52.04
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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