Molecule

ID:66905

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂N₄O₂
Molecular Mass
196.20648
Exact Mass
196.09602564
Charge
0
InChI
InChI=1S/C8H12N4O2/c1-2-14-8(13)7-11-10-6-5-9-3-4-12(6)7/h9H,2-5H2,1H3
InChIKey
LTINTLJABVYOMC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nnc2n1CCNC2
Isomeric Smiles
c12CNCCn1c(nn2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.9975809
LogD (pH = 7.4)
-0.9455933
Log P
-0.88417965
Molar Refractivity
50.9828
Polarizability
18.864754
Polar Surface Area
69.04
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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