Molecule

ID:14531

General Information
Structure
Molecular Formula
C₇H₁₁NO₃
Molecular Mass
157.16714
Exact Mass
157.07389322
Charge
0
InChI
InChI=1S/C7H11NO3/c1-5(7(10)11)8-4-2-3-6(8)9/h5H,2-4H2,1H3,(H,10,11)
InChIKey
SDWWBSPLLLYOJH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(N1CCCC1=O)C
Isomeric Smiles
N1(C(=O)CCC1)C(C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.8974745
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9173179
LogD (pH = 7.4)
-3.5240812
Log P
-0.30918568
Molar Refractivity
37.7331
Polarizability
14.72032
Polar Surface Area
57.61
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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