Molecule

ID:53321

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂O₃
Molecular Mass
254.2408
Exact Mass
254.06914219
Charge
0
InChI
InChI=1S/C14H10N2O3/c17-13-11-7-4-8-15-12(11)16(14(18)19-13)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKey
IOTFENHDTBFXDO-UHFFFAOYSA-N
Canonic Smiles
O=c1oc(=O)c2c(n1Cc1ccccc1)nccc2
Isomeric Smiles
c1cnc2c(c1)c(=O)oc(=O)n2Cc1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.4414284
LogD (pH = 7.4)
2.4414325
Log P
2.4414325
Molar Refractivity
67.7114
Polarizability
25.773407
Polar Surface Area
59.5
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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