Molecule

ID:116910

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₂
Molecular Mass
143.18362
Exact Mass
143.09462866
Charge
0
InChI
InChI=1S/C7H13NO2/c1-2-8-4-6(5-9)3-7(8)10/h6,9H,2-5H2,1H3
InChIKey
IQUCSWPMKAMAQG-UHFFFAOYSA-N
Canonic Smiles
OCC1CC(=O)N(C1)CC
Isomeric Smiles
N1(C(=O)CC(C1)CO)CC
Calculated Properties
JChem
Acid pKa
15.411819
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0292743
LogD (pH = 7.4)
-1.0292743
Log P
-1.0292743
Molar Refractivity
38.2047
Polarizability
14.750852
Polar Surface Area
40.54
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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