Molecule

ID:34602

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₂
Molecular Mass
143.18362
Exact Mass
143.09462866
Charge
0
InChI
InChI=1S/C7H13NO2/c1-2-8-5-3-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKey
YNXFKYXSWNIWGO-UHFFFAOYSA-N
Canonic Smiles
CCN1CCCC1C(=O)O
Isomeric Smiles
C1CN(C(C1)C(=O)O)CC
Calculated Properties
JChem
Acid pKa
1.8485236
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.088022
LogD (pH = 7.4)
-2.088163
Log P
-2.087973
Molar Refractivity
38.1076
Polarizability
14.9515705
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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