Molecule

ID:39568

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO₂
Molecular Mass
129.15704
Exact Mass
129.0789786
Charge
0
InChI
InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKey
CWLQUGTUXBXTLF-YFKPBYRVSA-N
Canonic Smiles
CN1CCC[C@H]1C(=O)O
Isomeric Smiles
C1CCN([C@@H]1C(=O)O)C
Calculated Properties
JChem
Acid pKa
1.7570719
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.444707
LogD (pH = 7.4)
-2.445056
Log P
-2.4446738
Molar Refractivity
33.359
Polarizability
13.120767
Polar Surface Area
40.54
Rotatable Bonds
1
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
No Data Available
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Molecule Details
References
Bioactivity
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