Molecule
ID:121768
General Information
Molecular Formula
C₁₀H₁₅NO₂
Molecular Mass
181.2316
Exact Mass
181.11027873
Charge
0
InChI
InChI=1S/C10H15NO2/c1-9(2)6-4-5-10(9,3)8(13)11-7(6)12/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKey
NRQVXWNPFZZDMQ-UHFFFAOYSA-N
Canonic Smiles
O=C1NC(=O)C2(C(C1CC2)(C)C)C
Isomeric Smiles
N1C(=O)C2(C(C(C1=O)CC2)(C)C)C
Calculated Properties
JChem
Acid pKa
11.697187
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.216424
LogD (pH = 7.4)
1.2164026
Log P
1.2164242
Molar Refractivity
47.7539
Polarizability
18.990404
Polar Surface Area
46.17
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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