Molecule

ID:33181

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁NO₃
Molecular Mass
157.16714
Exact Mass
157.07389322
Charge
0
InChI
InChI=1S/C7H11NO3/c1-8-3-2-5(7(10)11)4-6(8)9/h5H,2-4H2,1H3,(H,10,11)
InChIKey
FQRTVGXATBBMPJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCN(C(=O)C1)C
Isomeric Smiles
C1(=O)N(CCC(C(=O)O)C1)C
Calculated Properties
JChem
Acid pKa
4.315806
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8983852
LogD (pH = 7.4)
-3.6400502
Log P
-0.68862003
Molar Refractivity
37.9955
Polarizability
14.72032
Polar Surface Area
57.61
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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