Molecule

ID:72179

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₂
Molecular Mass
143.18362
Exact Mass
143.09462866
Charge
0
InChI
InChI=1S/C7H13NO2/c1-6(9)8-4-2-3-7(10)5-8/h7,10H,2-5H2,1H3
InChIKey
HTFMTRPNNXNQRN-UHFFFAOYSA-N
Canonic Smiles
OC1CCCN(C1)C(=O)C
Isomeric Smiles
N1(C(=O)C)CC(O)CCC1
Calculated Properties
JChem
Acid pKa
14.867513
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8074737
LogD (pH = 7.4)
-0.80747366
Log P
-0.80747366
Molar Refractivity
37.7628
Polarizability
14.750852
Polar Surface Area
40.54
Rotatable Bonds
0
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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