Molecule

ID:33533

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄N₄O₂
Molecular Mass
318.32936
Exact Mass
318.11167571
Charge
0
InChI
InChI=1S/C18H14N4O2/c1-3-7-13(8-4-1)17-19-15(23-21-17)11-12-16-20-18(22-24-16)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
KECUONFFPPDLHK-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1noc(n1)CCc1onc(n1)c1ccccc1
Isomeric Smiles
n1c(noc1CCc1nc(no1)c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.7009854
LogD (pH = 7.4)
4.7009854
Log P
4.7009854
Molar Refractivity
111.3014
Polarizability
34.216606
Polar Surface Area
77.84
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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