Molecule

ID:89865

General Information
Structure
MolImage
Molecular Formula
C₅H₁₆Cl₂N₂
Molecular Mass
175.09994
Exact Mass
174.06905388
Charge
0
InChI
InChI=1S/C5H14N2.2ClH/c1-3-5(4-2)7-6;;/h5,7H,3-4,6H2,1-2H3;2*1H
InChIKey
SODDJJRARFWDPC-UHFFFAOYSA-N
Canonic Smiles
CCC(NN)CC.Cl.Cl
Isomeric Smiles
NNC(CC)CC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.39300907
LogD (pH = 7.4)
0.9915248
Log P
1.0083135
Molar Refractivity
43.1111
Polarizability
12.804681
Polar Surface Area
38.05
Rotatable Bonds
3
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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