Molecule

ID:69506

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₂
Molecular Mass
181.2316
Exact Mass
181.11027873
Charge
0
InChI
InChI=1S/C10H15NO2/c12-8-6-10(7-9(13)11-8)4-2-1-3-5-10/h1-7H2,(H,11,12,13)
InChIKey
FNIPRNMPSXNBDI-UHFFFAOYSA-N
Canonic Smiles
O=C1NC(=O)CC2(C1)CCCCC2
Isomeric Smiles
C1(=O)CC2(CC(=O)N1)CCCCC2
Calculated Properties
JChem
Acid pKa
11.794908
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9081432
LogD (pH = 7.4)
0.9081261
Log P
0.9081434
Molar Refractivity
47.9069
Polarizability
18.990404
Polar Surface Area
46.17
Rotatable Bonds
0
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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