Molecule

ID:117058

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₂
Molecular Mass
143.18362
Exact Mass
143.09462866
Charge
0
InChI
InChI=1S/C7H13NO2/c1-10-6(9)7(8)4-2-3-5-7/h2-5,8H2,1H3
InChIKey
VLNNACMZTDZCFH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1(N)CCCC1
Isomeric Smiles
C(=O)(C1(N)CCCC1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5746436
LogD (pH = 7.4)
0.095824175
Log P
0.58126754
Molar Refractivity
37.2255
Polarizability
15.197755
Polar Surface Area
52.32
Rotatable Bonds
2
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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