Molecule

ID:30520

General Information
Structure
MolImage
Molecular Formula
C₅H₁₄Cl₂N₂
Molecular Mass
173.08406
Exact Mass
172.05340382
Charge
0
InChI
InChI=1S/C5H12N2.2ClH/c6-7-5-3-1-2-4-5;;/h5,7H,1-4,6H2;2*1H
InChIKey
FPQRIFDTYLBNHV-UHFFFAOYSA-N
Canonic Smiles
NNC1CCCC1.Cl.Cl
Isomeric Smiles
N(N)C1CCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.027927207
LogD (pH = 7.4)
0.5299035
Log P
0.5445876
Molar Refractivity
41.3089
Polarizability
12.067715
Polar Surface Area
38.05
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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