Molecule

ID:111959

General Information
Structure
MolImage
Molecular Formula
C₃H₁₀Cl₂N₂O
Molecular Mass
161.0303
Exact Mass
160.01701831
Charge
0
InChI
InChI=1S/C3H8N2O.2ClH/c4-1-3(6)2-5;;/h1-2,4-5H2;2*1H
InChIKey
GAOYTRAZVCVBEF-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)CN.Cl.Cl
Isomeric Smiles
Cl.Cl.NCC(=O)CN
Calculated Properties
JChem
Acid pKa
15.639658
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-5.084751
LogD (pH = 7.4)
-2.5431542
Log P
-1.7419798
Molar Refractivity
22.9142
Polarizability
9.388083
Polar Surface Area
69.11
Rotatable Bonds
2
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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