Molecule

ID:45002

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₃O₂
Molecular Mass
207.22912
Exact Mass
207.10077667
Charge
0
InChI
InChI=1S/C10H13N3O2/c1-13-6-12-8-4-7(5-11-9(8)13)10(14-2)15-3/h4-6,10H,1-3H3
InChIKey
UIDNYSCZICDRRN-UHFFFAOYSA-N
Canonic Smiles
COC(c1cnc2c(c1)ncn2C)OC
Isomeric Smiles
c1(cnc2c(c1)ncn2C)C(OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.7871569
LogD (pH = 7.4)
0.7876428
Log P
0.787649
Molar Refractivity
55.0091
Polarizability
21.760359
Polar Surface Area
49.17
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
No Data Available
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Molecule Details
References
Bioactivity
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