Molecule

ID:106825

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7,12H2,1-2H3
InChIKey
PUYOAVGNCWPANW-UHFFFAOYSA-N
Canonic Smiles
CC(COC(=O)c1ccc(cc1)N)C
Isomeric Smiles
CC(C)COC(=O)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3911643
LogD (pH = 7.4)
2.3920882
Log P
2.3921
Molar Refractivity
56.5279
Polarizability
21.409348
Polar Surface Area
52.32
Rotatable Bonds
4
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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