Molecule

ID:61101

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅N₅O₂
Molecular Mass
261.2798
Exact Mass
261.12257475
Charge
0
InChI
InChI=1S/C12H15N5O2/c1-4-19-11(18)9-7-13-12-14-8-15-17(12)10(9)5-6-16(2)3/h5-8H,4H2,1-3H3/b6-5+
InChIKey
AEAWEOSYRDDRJW-AATRIKPKSA-N
Canonic Smiles
CCOC(=O)c1cnc2n(c1/C=C/N(C)C)ncn2
Isomeric Smiles
c1(c(cnc2n1ncn2)C(=O)OCC)/C=C/N(C)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-0.5489967
LogD (pH = 7.4)
0.7096311
Log P
0.81757563
Molar Refractivity
83.6471
Polarizability
26.169067
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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