Molecule

ID:60164

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃N₃O₂
Molecular Mass
267.28262
Exact Mass
267.10077667
Charge
0
InChI
InChI=1S/C15H13N3O2/c1-20-15(19)12-8-6-11(7-9-12)10-18-14-5-3-2-4-13(14)16-17-18/h2-9H,10H2,1H3
InChIKey
HSLJIOGNIIZZOF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)Cn1nnc2c1cccc2
Isomeric Smiles
c1cc(ccc1C(=O)OC)Cn1nnc2c1cccc2
Calculated Properties
Provided by Enamine
CLogP
2.80
H Donor
0
Polar Surface Area
57.01
Rotatable Bonds
4
JChem
Log P
3.15
LogD (pH = 7.4)
3.15
LogD (pH = 5.5)
3.15
Rotatable Bonds
4
H Donor
0
H Acceptors
3
Polar Surface Area
57.01
Molar Refractivity
85
Polarizability
27.67
Lipinski's Rule of Five
true
LOG S
-2.89
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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