Molecule

ID:80924

General Information
Structure
Molecular Formula
C₁₄H₁₂N₂O₃
Molecular Mass
256.25668
Exact Mass
256.08479225
Charge
0
InChI
InChI=1S/C14H12N2O3/c17-13-7-5-11-12(6-8(7)14(18)19-13)16-10-4-2-1-3-9(10)15-11/h1-4,7-8,15-16H,5-6H2
InChIKey
NFDDMCWCJVJCQI-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)C2C1Cc1[nH]c3ccccc3[nH]c1C2
Isomeric Smiles
O1C(=O)C2Cc3c(CC2C1=O)[nH]c1c(cccc1)[nH]3
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.12699501
LogD (pH = 7.4)
0.12700056
Log P
0.12700063
Molar Refractivity
72.0126
Polarizability
25.776897
Polar Surface Area
67.43
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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