Molecule

ID:103190

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₅O₃
Molecular Mass
251.24192
Exact Mass
251.1018393
Charge
0
InChI
InChI=1S/C10H13N5O3/c11-10-13-8-7(9(17)14-10)12-4-15(8)6-2-1-5(3-16)18-6/h4-6,16H,1-3H2,(H3,11,13,14,17)
InChIKey
OCLZPNCLRLDXJC-UHFFFAOYSA-N
Canonic Smiles
OCC1CCC(O1)n1cnc2c1nc(N)[nH]c2=O
Isomeric Smiles
Nc1nc2c(ncn2C2CCC(CO)O2)c(=O)[nH]1
Calculated Properties
JChem
Acid pKa
10.158622
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
-1.0970316
LogD (pH = 7.4)
-1.0975945
Log P
-1.0969274
Molar Refractivity
62.3165
Polarizability
22.920849
Polar Surface Area
114.76
Rotatable Bonds
2
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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