Molecule

ID:17751

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₂
Molecular Mass
143.18362
Exact Mass
143.09462866
Charge
0
InChI
InChI=1S/C7H13NO2/c9-7(10)5-6-3-1-2-4-8-6/h6,8H,1-5H2,(H,9,10)
InChIKey
PRNLNZMJMCUWNV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1CCCCN1
Isomeric Smiles
C(C(=O)O)C1NCCCC1
Calculated Properties
JChem
Acid pKa
3.9294257
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.0485919
LogD (pH = 7.4)
-2.0396314
Log P
-2.039534
Molar Refractivity
37.2896
Polarizability
14.9515705
Polar Surface Area
49.33
Rotatable Bonds
2
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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