Molecule

ID:125355

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-7(12)5-9-3-4-10-11(6-9)14-8(2)13-10/h3-4,6-8H,5,12H2,1-2H3
InChIKey
SLXACJFRFCJPAH-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccc2c(c1)OC(O2)C)N
Isomeric Smiles
CC(N)Cc1ccc2OC(C)Oc2c1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3618916
LogD (pH = 7.4)
-0.8155486
Log P
1.6570169
Molar Refractivity
54.3144
Polarizability
21.602886
Polar Surface Area
44.48
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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