Molecule

ID:17505

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₄
Molecular Mass
186.1653
Exact Mass
186.06405681
Charge
0
InChI
InChI=1S/C7H10N2O4/c10-5-4-8-7(13)9(5)3-1-2-6(11)12/h1-4H2,(H,8,13)(H,11,12)
InChIKey
GYEHTLIBCNQARC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCN1C(=O)CNC1=O
Isomeric Smiles
N1(C(=O)CNC1=O)CCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.0503025
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.6841383
LogD (pH = 7.4)
-4.352406
Log P
-1.2228872
Molar Refractivity
41.4818
Polarizability
16.063112
Polar Surface Area
86.71
Rotatable Bonds
4
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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