Molecule

ID:39953

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄N₂O₃
Molecular Mass
294.30466
Exact Mass
294.10044232
Charge
0
InChI
InChI=1S/C17H14N2O3/c1-22-17(21)15-11-19(10-12-5-4-8-18-9-12)16(20)14-7-3-2-6-13(14)15/h2-9,11H,10H2,1H3
InChIKey
QDRLMZSKQFPQDB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cn(Cc2cccnc2)c(=O)c2c1cccc2
Isomeric Smiles
c1(cn(c(=O)c2c1cccc2)Cc1cnccc1)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8531424
LogD (pH = 7.4)
1.9240175
Log P
1.925021
Molar Refractivity
81.5565
Polarizability
30.922592
Polar Surface Area
59.5
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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