Molecule

ID:127804

General Information
Structure
MolImage
Molecular Formula
C₃H₆N₂
Molecular Mass
70.09314
Exact Mass
70.0530982
Charge
0
InChI
InChI=1S/C3H6N2/c1-2-5-3-4-1/h3H,1-2H2,(H,4,5)
InChIKey
MTNDZQHUAFNZQY-UHFFFAOYSA-N
Canonic Smiles
C1CNC=N1
Isomeric Smiles
N1=CNCC1
Calculated Properties
JChem
LogD (pH = 7.4)
-2.94
LogD (pH = 5.5)
-3.09
Log P
-0.68
Rotatable Bonds
0
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
10.17
Polar Surface Area
24.39
Polarizability
7.22
Molar Refractivity
19.86
LOG S
0.24
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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