Molecule

ID:125498

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-7-3-9(4-8(2)12)5-10-11(7)14-6-13-10/h3,5,8H,4,6,12H2,1-2H3
InChIKey
OLENSVFSNAULML-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1cc(C)c2c(c1)OCO2)N
Isomeric Smiles
O1COc2c1cc(CC(N)C)cc2C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0782064
LogD (pH = 7.4)
-0.53625286
Log P
1.9409053
Molar Refractivity
54.5133
Polarizability
21.526958
Polar Surface Area
44.48
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
No Data Available
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Molecule Details
References
Bioactivity
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