Molecule

ID:81503

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-11(2,3)14-10(13)8-5-4-6-9(12)7-8/h4-7H,12H2,1-3H3
InChIKey
YGIRNXMYJLWFLH-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)C(=O)OC(C)(C)C
Isomeric Smiles
Nc1cccc(c1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2005496
LogD (pH = 7.4)
2.2017412
Log P
2.2017565
Molar Refractivity
56.5893
Polarizability
21.410032
Polar Surface Area
52.32
Rotatable Bonds
3
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
References
Bioactivity
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