Molecule

ID:61245

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅N₅O₂
Molecular Mass
285.3012
Exact Mass
285.12257475
Charge
0
InChI
InChI=1S/C14H15N5O2/c1-8-5-9(2)17-14(16-8)19-13(15)18-10-3-4-11-12(6-10)21-7-20-11/h3-6H,7H2,1-2H3,(H3,15,16,17,18,19)
InChIKey
STJYPPDQYIMYTH-UHFFFAOYSA-N
Canonic Smiles
N=C(Nc1nc(C)cc(n1)C)Nc1ccc2c(c1)OCO2
Isomeric Smiles
c1c(nc(nc1C)NC(=N)Nc1ccc2c(c1)OCO2)C
Calculated Properties
JChem
H Acceptors
7
H Donor
3
LogD (pH = 5.5)
1.1211554
LogD (pH = 7.4)
1.7536923
Log P
1.7725662
Molar Refractivity
90.085
Polarizability
28.9957
Polar Surface Area
92.15
Rotatable Bonds
2
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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