Molecule

ID:42446

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₃
Molecular Mass
206.198
Exact Mass
206.06914219
Charge
0
InChI
InChI=1S/C10H10N2O3/c11-9(14)8-5-2-1-3-7(13)6(5)4-12-10(8)15/h4H,1-3H2,(H2,11,14)(H,12,15)
InChIKey
GZVWSWSRRHLJRC-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1c(=O)[nH]cc2c1CCCC2=O
Isomeric Smiles
c1(c2c(c[nH]c1=O)C(=O)CCC2)C(=O)N
Calculated Properties
JChem
Acid pKa
10.318043
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.9579945
LogD (pH = 7.4)
-0.9584514
Log P
-0.957987
Molar Refractivity
52.5988
Polarizability
19.773602
Polar Surface Area
89.26
Rotatable Bonds
1
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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