Molecule

ID:41663

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO₂
Molecular Mass
195.25818
Exact Mass
195.12592879
Charge
0
InChI
InChI=1S/C11H17NO2/c1-11(2,3)9(10(13)14-4)12-7-5-6-8-12/h5-9H,1-4H3/t9-/m1/s1
InChIKey
MZNZQYIWCYSXPB-SECBINFHSA-N
Canonic Smiles
COC(=O)[C@H](C(C)(C)C)n1cccc1
Isomeric Smiles
n1([C@H](C(=O)OC)C(C)(C)C)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7349436
LogD (pH = 7.4)
2.7349436
Log P
2.7349436
Molar Refractivity
54.4548
Polarizability
21.68786
Polar Surface Area
31.23
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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