Molecule

ID:122964

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO₂
Molecular Mass
195.25818
Exact Mass
195.12592879
Charge
0
InChI
InChI=1S/C11H17NO2/c1-11(2)5-9(13)8(7-12(3)4)10(14)6-11/h7H,5-6H2,1-4H3
InChIKey
FQROYQHOQIIRBO-UHFFFAOYSA-N
Canonic Smiles
CN(C=C1C(=O)CC(CC1=O)(C)C)C
Isomeric Smiles
C1(=CN(C)C)C(=O)CC(CC1=O)(C)C
Calculated Properties
JChem
Acid pKa
19.08407
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4208144
LogD (pH = 7.4)
1.4469758
Log P
1.4473197
Molar Refractivity
56.0467
Polarizability
21.303307
Polar Surface Area
37.38
Rotatable Bonds
1
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
References
Bioactivity
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