Molecule

ID:78340

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO
Molecular Mass
127.18422
Exact Mass
127.09971404
Charge
0
InChI
InChI=1S/C7H13NO/c1-2-8-5-3-7(9)4-6-8/h2-6H2,1H3
InChIKey
BDVKAMAALQXGLM-UHFFFAOYSA-N
Canonic Smiles
CCN1CCC(=O)CC1
Isomeric Smiles
N1(CCC(=O)CC1)CC
Calculated Properties
JChem
Acid pKa
17.857544
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.2546868
LogD (pH = 7.4)
0.28234893
Log P
0.5299407
Molar Refractivity
37.2121
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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