Molecule

ID:70820

General Information
Structure
MolImage
Molecular Formula
C₃H₁₂Cl₂N₂
Molecular Mass
147.04678
Exact Mass
146.03775375
Charge
0
InChI
InChI=1S/C3H10N2.2ClH/c1-3(5)2-4;;/h3H,2,4-5H2,1H3;2*1H/t3-;;/m0../s1
InChIKey
AEIAMRMQKCPGJR-QTNFYWBSSA-N
Canonic Smiles
NC[C@@H](N)C.Cl.Cl
Isomeric Smiles
C([C@H](C)N)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-5.630061
LogD (pH = 7.4)
-3.5205479
Log P
-1.0058676
Molar Refractivity
22.2874
Polarizability
9.319206
Polar Surface Area
52.04
Rotatable Bonds
1
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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