Molecule

ID:68808

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO
Molecular Mass
127.18422
Exact Mass
127.09971404
Charge
0
InChI
InChI=1S/C7H13NO/c1-8-4-2-7(6-9)3-5-8/h6-7H,2-5H2,1H3
InChIKey
LKIYWJKEOOFVCV-UHFFFAOYSA-N
Canonic Smiles
O=CC1CCN(CC1)C
Isomeric Smiles
N1(CCC(CC1)C=O)C
Calculated Properties
JChem
Acid pKa
17.159906
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.8569837
LogD (pH = 7.4)
-1.1282095
Log P
0.10466386
Molar Refractivity
37.4446
Polarizability
14.49175
Polar Surface Area
20.31
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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