Molecule

ID:121922

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₄O₂
Molecular Mass
158.1585
Exact Mass
158.08037558
Charge
0
InChI
InChI=1S/C5H10N4O2/c6-8-4(10)3-1-2-7-9-5(3)11/h3,7H,1-2,6H2,(H,8,10)(H,9,11)
InChIKey
VLVYSIGLXIKTGG-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C1CCNNC1=O
Isomeric Smiles
C1(C(=O)NNCC1)C(=O)NN
Calculated Properties
JChem
Acid pKa
10.990371
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-2.2539942
LogD (pH = 7.4)
-2.2450519
Log P
-2.2448244
Molar Refractivity
48.7708
Polarizability
14.600005
Polar Surface Area
96.25
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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