Molecule

ID:913

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀N₂O₄
Molecular Mass
258.2295
Exact Mass
258.06405681
Charge
0
InChI
InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)
InChIKey
UEJJHQNACJXSKW-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
O=C1NC(=O)CCC1N1C(=O)c2c(C1=O)cccc2
Calculated Properties
JChem
LogD (pH = 7.4)
0.02
LogD (pH = 5.5)
0.02
Log P
0.02
Rotatable Bonds
1
H Donor
1
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
11.59
Polar Surface Area
83.55
Polarizability
24.71
Molar Refractivity
64.32
LOG S
-2.95
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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