Molecule

ID:41119

General Information
Structure
MolImage
Molecular Formula
C₉H₉N₃O₂
Molecular Mass
191.18666
Exact Mass
191.06947654
Charge
0
InChI
InChI=1S/C9H9N3O2/c1-2-14-8(13)7-6-12-5-3-4-10-9(12)11-7/h3-6H,2H2,1H3
InChIKey
SORASSFGEFQWIH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cn2c(n1)nccc2
Isomeric Smiles
c1(nc2n(c1)cccn2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.35334608
LogD (pH = 7.4)
0.35342908
Log P
0.35343015
Molar Refractivity
51.1915
Polarizability
18.72588
Polar Surface Area
56.49
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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