Molecule

ID:67267

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NO₂
Molecular Mass
171.23678
Exact Mass
171.12592879
Charge
0
InChI
InChI=1S/C9H17NO2/c1-9(2,3)12-8(11)10-6-4-5-7-10/h4-7H2,1-3H3
InChIKey
LPQZERIRKRYGGM-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC1)OC(C)(C)C
Isomeric Smiles
N1(CCCC1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4961121
LogD (pH = 7.4)
1.4961121
Log P
1.4961121
Molar Refractivity
47.2295
Polarizability
18.488184
Polar Surface Area
29.54
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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