Molecule

ID:113851

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₄
Molecular Mass
234.2081
Exact Mass
234.06405681
Charge
0
InChI
InChI=1S/C11H10N2O4/c1-17-8-4-2-3-7(5-8)13-10(15)6-9(14)12-11(13)16/h2-5H,6H2,1H3,(H,12,14,16)
InChIKey
HZTJQCRBOFCVHW-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)N1C(=O)CC(=O)NC1=O
Isomeric Smiles
N1(C(=O)NC(=O)CC1=O)c1cc(OC)ccc1
Calculated Properties
JChem
Acid pKa
3.615283
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.4021719
LogD (pH = 7.4)
-2.6364818
Log P
0.45292017
Molar Refractivity
57.1123
Polarizability
22.057184
Polar Surface Area
75.71
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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