Molecule

ID:70321

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₂
Molecular Mass
143.18362
Exact Mass
143.09462866
Charge
0
InChI
InChI=1S/C7H13NO2/c1-10-7(9)6-2-4-8-5-3-6/h6,8H,2-5H2,1H3
InChIKey
RZVWBASHHLFBJF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CCNCC1
Isomeric Smiles
N1CCC(CC1)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.1666908
LogD (pH = 7.4)
-2.1956143
Log P
0.02612623
Molar Refractivity
37.8444
Polarizability
15.197755
Polar Surface Area
38.33
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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