Molecule

ID:128841

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₂
Molecular Mass
197.27406
Exact Mass
197.14157885
Charge
0
InChI
InChI=1S/C11H19NO2/c1-14-10(13)6-11(7-12)4-8-2-3-9(8)5-11/h8-9H,2-7,12H2,1H3
InChIKey
ASBDKEXHKWHAPE-UHFFFAOYSA-N
Canonic Smiles
NCC1(CC2C(C1)CC2)CC(=O)OC
Isomeric Smiles
COC(=O)CC1(CN)CC2CCC2C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.21159
LogD (pH = 7.4)
-1.577997
Log P
0.8027898
Molar Refractivity
53.7914
Polarizability
21.825024
Polar Surface Area
52.32
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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