Molecule

ID:54962

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NO₂
Molecular Mass
171.23678
Exact Mass
171.12592879
Charge
0
InChI
InChI=1S/C9H17NO2/c1-7-5-10(6-7)8(11)12-9(2,3)4/h7H,5-6H2,1-4H3
InChIKey
RSAHOMRSRWAPAF-UHFFFAOYSA-N
Canonic Smiles
CC1CN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
C1C(CN1C(=O)OC(C)(C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4580729
LogD (pH = 7.4)
1.4580729
Log P
1.4580729
Molar Refractivity
47.0013
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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