Molecule

ID:3810

General Information
Structure
MolImage
Molecular Formula
C₄H₁₂N₄O
Molecular Mass
132.16428
Exact Mass
132.10111102
Charge
0
InChI
InChI=1S/C4H12N4O/c5-2-1-3-7-4(6)8-9/h9H,1-3,5H2,(H3,6,7,8)
InChIKey
HYBLXYGPQAIGPY-UHFFFAOYSA-N
Canonic Smiles
N/C(=N\CCCN)/NO
Isomeric Smiles
N/C(=N\CCCN)/NO
Calculated Properties
JChem
Acid pKa
14.819722
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-7.0694013
LogD (pH = 7.4)
-5.8570914
Log P
-1.6885355
Molar Refractivity
45.4132
Polarizability
13.287012
Polar Surface Area
96.66
Rotatable Bonds
3
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-2.93
LOG S
-1.57
Solubility (Water)
4.52e+00 g/l
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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