Molecule

ID:37699

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁NO₃
Molecular Mass
157.16714
Exact Mass
157.07389322
Charge
0
InChI
InChI=1S/C7H11NO3/c9-6(7(10)11)8-4-2-1-3-5-8/h1-5H2,(H,10,11)
InChIKey
MGUUGECHSXIHBV-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=O)O)N1CCCCC1
Isomeric Smiles
C(=O)(N1CCCCC1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.172172
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.1120017
LogD (pH = 7.4)
-3.229297
Log P
0.22702408
Molar Refractivity
38.1962
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
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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