Molecule

ID:18855

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₄
Molecular Mass
186.1653
Exact Mass
186.06405681
Charge
0
InChI
InChI=1S/C7H10N2O4/c1-7(3-2-4(10)11)5(12)8-6(13)9-7/h2-3H2,1H3,(H,10,11)(H2,8,9,12,13)
InChIKey
IJLYHEHUVLPNNI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC1(C)NC(=O)NC1=O
Isomeric Smiles
N1C(=O)NC(C1=O)(CCC(=O)O)C
Calculated Properties
JChem
Acid pKa
4.049376
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-2.272431
LogD (pH = 7.4)
-4.3440866
Log P
-0.801841
Molar Refractivity
41.0437
Polarizability
16.063112
Polar Surface Area
95.5
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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