Molecule

ID:17883

General Information
Structure
MolImage
Molecular Formula
C₃H₁₂Cl₂N₂
Molecular Mass
147.04678
Exact Mass
146.03775375
Charge
0
InChI
InChI=1S/C3H10N2.2ClH/c1-2-3-5-4;;/h5H,2-4H2,1H3;2*1H
InChIKey
VADOWJSGPWJEKO-UHFFFAOYSA-N
Canonic Smiles
CCCNN.Cl.Cl
Isomeric Smiles
C(CC)NN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.43028352
LogD (pH = 7.4)
0.057553787
Log P
0.06921607
Molar Refractivity
34.1683
Polarizability
9.113097
Polar Surface Area
38.05
Rotatable Bonds
2
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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