Molecule

ID:43014

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₄O₂
Molecular Mass
198.22236
Exact Mass
198.11167571
Charge
0
InChI
InChI=1S/C8H14N4O2/c1-3-11-6(10)5(9)7(13)12(4-2)8(11)14/h3-4,9-10H2,1-2H3
InChIKey
UYSUETCFMBIADB-UHFFFAOYSA-N
Canonic Smiles
CCn1c(N)c(N)c(=O)n(c1=O)CC
Isomeric Smiles
n1(c(=O)n(c(=O)c(c1N)N)CC)CC
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.0799171
LogD (pH = 7.4)
-1.0795325
Log P
-1.0795276
Molar Refractivity
61.8208
Polarizability
19.26714
Polar Surface Area
92.66
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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