Molecule

ID:121659

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃N₃O₂
Molecular Mass
267.28262
Exact Mass
267.10077667
Charge
0
InChI
InChI=1S/C15H13N3O2/c1-19-13-7-5-10(6-8-13)14-17-15(20-18-14)11-3-2-4-12(16)9-11/h2-9H,16H2,1H3
InChIKey
XCKFGIBICKHLMF-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1noc(n1)c1cccc(c1)N
Isomeric Smiles
n1c(noc1c1cc(N)ccc1)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.221783
LogD (pH = 7.4)
3.2234998
Log P
3.2235217
Molar Refractivity
98.3504
Polarizability
29.650751
Polar Surface Area
74.17
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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