Molecule

ID:65304

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₂
Molecular Mass
197.27406
Exact Mass
197.14157885
Charge
0
InChI
InChI=1S/C11H19NO2/c1-9-6-5-7-12(8-9)10(13)14-11(2,3)4/h1,5-8H2,2-4H3
InChIKey
CENNZHRFKNCIBU-UHFFFAOYSA-N
Canonic Smiles
C=C1CCCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
C1(=C)CCCN(C1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0359614
LogD (pH = 7.4)
2.0359614
Log P
2.0359614
Molar Refractivity
56.0026
Polarizability
21.92043
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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