Molecule

ID:84999

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅NO₂
Molecular Mass
169.2209
Exact Mass
169.11027873
Charge
0
InChI
InChI=1S/C9H15NO2/c1-7-9(2,12-7)8(11)5-6-10(3)4/h5-7H,1-4H3
InChIKey
ICKHRVJHIOZULB-UHFFFAOYSA-N
Canonic Smiles
CN(/C=C/C(=O)C1(C)OC1C)C
Isomeric Smiles
O1C(C1C)(C(=O)/C=C/N(C)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.2590327
LogD (pH = 7.4)
1.1291169
Log P
1.1662585
Molar Refractivity
47.9088
Polarizability
18.243229
Polar Surface Area
32.84
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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