Molecule

ID:43126

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NO₂
Molecular Mass
153.17844
Exact Mass
153.0789786
Charge
0
InChI
InChI=1S/C8H11NO2/c1-11-7(10)8(6-9)4-2-3-5-8/h2-5H2,1H3
InChIKey
HMAJNDDGAHBMQO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1(CCCC1)C#N
Isomeric Smiles
C1(C(=O)OC)(C#N)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3971376
LogD (pH = 7.4)
1.3971376
Log P
1.3971376
Molar Refractivity
39.2115
Polarizability
15.379294
Polar Surface Area
50.09
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
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Molecule Details
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References
Bioactivity
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