Molecule

ID:128374

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-11(2,12)6-8-3-4-9-10(5-8)14-7-13-9/h3-5H,6-7,12H2,1-2H3
InChIKey
OIZBHKBNZXRXSM-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccc2c(c1)OCO2)(N)C
Isomeric Smiles
NC(C)(C)Cc1cc2OCOc2cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3167253
LogD (pH = 7.4)
-0.92084867
Log P
1.7080606
Molar Refractivity
54.1103
Polarizability
21.602976
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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