Molecule

ID:60972

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇N₅O₂
Molecular Mass
275.30638
Exact Mass
275.13822481
Charge
0
InChI
InChI=1S/C13H17N5O2/c1-5-20-12(19)10-8-14-13-15-9(2)16-18(13)11(10)6-7-17(3)4/h6-8H,5H2,1-4H3/b7-6+
InChIKey
FJXYLSQPFDQCAY-VOTSOKGWSA-N
Canonic Smiles
CCOC(=O)c1cnc2n(c1/C=C/N(C)C)nc(n2)C
Isomeric Smiles
n12c(nc(n2)C)ncc(c1/C=C/N(C)C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.20936728
LogD (pH = 7.4)
1.4775218
Log P
1.5881253
Molar Refractivity
88.2715
Polarizability
27.924421
Polar Surface Area
72.62
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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