Molecule

ID:61957

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₂
Molecular Mass
143.18362
Exact Mass
143.09462866
Charge
0
InChI
InChI=1S/C7H13NO2/c1-8-4-2-3-6(5-8)7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKey
AYIXGVABNMIOLK-UHFFFAOYSA-N
Canonic Smiles
CN1CCCC(C1)C(=O)O
Isomeric Smiles
C1(C(=O)O)CN(CCC1)C
Calculated Properties
JChem
Acid pKa
3.803323
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.317304
LogD (pH = 7.4)
-2.3122869
Log P
-2.3111684
Molar Refractivity
38.216
Polarizability
14.9515705
Polar Surface Area
40.54
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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