Molecule

ID:62524

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₅
Molecular Mass
240.21268
Exact Mass
240.07462149
Charge
0
InChI
InChI=1S/C10H12N2O5/c1-17-10(16)6-7(13)4-5-12-9(15)3-2-8(14)11-12/h2-3H,4-6H2,1H3,(H,11,14)
InChIKey
KTDSLBMBZKWDOD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)CCn1nc(O)ccc1=O
Isomeric Smiles
n1(nc(ccc1=O)O)CCC(=O)CC(=O)OC
Calculated Properties
JChem
Acid pKa
7.5607815
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.14163816
LogD (pH = 7.4)
-0.08263587
Log P
-0.087936334
Molar Refractivity
57.5181
Polarizability
21.595896
Polar Surface Area
96.27
Rotatable Bonds
6
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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