Molecule

ID:79350

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁NO₂
Molecular Mass
141.16774
Exact Mass
141.0789786
Charge
0
InChI
InChI=1S/C7H11NO2/c1-3-10-6-4-8-7(9)5(6)2/h3-4H2,1-2H3,(H,8,9)
InChIKey
ONDAGAZXNLJVKX-UHFFFAOYSA-N
Canonic Smiles
CC1=C(CNC1=O)OCC
Isomeric Smiles
N1C(=O)C(=C(C1)OCC)C
Calculated Properties
JChem
Acid pKa
14.170819
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.23154555
LogD (pH = 7.4)
-0.23153956
Log P
-0.23153941
Molar Refractivity
38.9464
Polarizability
14.573137
Polar Surface Area
38.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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