Molecule

ID:112764

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀N₂O₄
Molecular Mass
282.2509
Exact Mass
282.06405681
Charge
0
InChI
InChI=1S/C15H10N2O4/c1-9-2-3-10(16-12(18)4-5-13(16)19)8-11(9)17-14(20)6-7-15(17)21/h2-8H,1H3
InChIKey
FJKKJQRXSPFNPM-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1c1ccc(c(c1)N1C(=O)C=CC1=O)C
Isomeric Smiles
Cc1ccc(cc1N1C(=O)C=CC1=O)N1C(=O)C=CC1=O
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.0316362
LogD (pH = 7.4)
1.0316387
Log P
1.0316387
Molar Refractivity
75.0346
Polarizability
27.471596
Polar Surface Area
74.76
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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