Molecule

ID:63485

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₂
Molecular Mass
181.2316
Exact Mass
181.11027873
Charge
0
InChI
InChI=1S/C10H15NO2/c1-5-8-6-11(7-8)9(12)13-10(2,3)4/h1,8H,6-7H2,2-4H3
InChIKey
UENGYBYGCXKNRF-UHFFFAOYSA-N
Canonic Smiles
C#CC1CN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
O(C(=O)N1CC(C1)C#C)C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.0954869
LogD (pH = 7.4)
1.0954869
Log P
1.0954869
Molar Refractivity
50.0639
Polarizability
19.234175
Polar Surface Area
29.54
Rotatable Bonds
2
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
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References
Bioactivity
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