Molecule

ID:68095

General Information
Structure
Molecular Formula
C₇H₁₃NO₂
Molecular Mass
143.18362
Exact Mass
143.09462866
Charge
0
InChI
InChI=1S/C7H13NO2/c1-10-7(9)6-4-2-3-5-8-6/h6,8H,2-5H2,1H3/t6-/m1/s1
InChIKey
CXQTTWVBUDFUNO-ZCFIWIBFSA-N
Canonic Smiles
COC(=O)[C@H]1CCCCN1
Isomeric Smiles
N1[C@H](CCCC1)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5704855
LogD (pH = 7.4)
0.4386968
Log P
0.4933213
Molar Refractivity
37.4344
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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