Molecule

ID:85270

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₄O₃
Molecular Mass
236.22728
Exact Mass
236.09094026
Charge
0
InChI
InChI=1S/C10H12N4O3/c1-12-5-11-8-7(12)9(15)14(3-6-4-17-6)10(16)13(8)2/h5-6H,3-4H2,1-2H3
InChIKey
QQCOBPCJWMENCH-UHFFFAOYSA-N
Canonic Smiles
Cn1cnc2c1c(=O)n(CC1CO1)c(=O)n2C
Isomeric Smiles
n1(c(=O)n(c2c(c1=O)n(cn2)C)C)CC1OC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.70437914
LogD (pH = 7.4)
-0.70437896
Log P
-0.70437896
Molar Refractivity
58.5759
Polarizability
21.558706
Polar Surface Area
70.97
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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