Molecule

ID:63403

General Information
Structure
Molecular Formula
C₁₂H₁₉NO₂
Molecular Mass
209.28476
Exact Mass
209.14157885
Charge
0
InChI
InChI=1S/C12H19NO2/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4/h1,10H,6-9H2,2-4H3
InChIKey
INUWDZDWSJJFSQ-UHFFFAOYSA-N
Canonic Smiles
C#CC1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(C#C)CC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8651137
LogD (pH = 7.4)
1.8651137
Log P
1.8651137
Molar Refractivity
59.4417
Polarizability
22.908937
Polar Surface Area
29.54
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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