Molecule

ID:33870

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₄
Molecular Mass
238.23986
Exact Mass
238.09535694
Charge
0
InChI
InChI=1S/C11H14N2O4/c1-6-9(7(2)17-12-6)5-13-4-8(11(15)16)3-10(13)14/h8H,3-5H2,1-2H3,(H,15,16)
InChIKey
MECHYSVNJGWSSZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CN(C(=O)C1)Cc1c(C)noc1C
Isomeric Smiles
c1(CN2C(=O)CC(C2)C(=O)O)c(onc1C)C
Calculated Properties
JChem
Acid pKa
4.166638
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.9094726
LogD (pH = 7.4)
-3.6144307
Log P
-0.55733126
Molar Refractivity
59.0363
Polarizability
22.036287
Polar Surface Area
83.64
Rotatable Bonds
3
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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