Molecule

ID:128159

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-8(2)9-5-4-6-10(7-9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)
InChIKey
GYKXQTKSWLAUIT-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)Oc1cccc(c1)C(C)C
Isomeric Smiles
O=C(Oc1cc(ccc1)C(C)C)NC
Calculated Properties
JChem
Acid pKa
14.771976
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7156465
LogD (pH = 7.4)
2.7156465
Log P
2.7156465
Molar Refractivity
54.9546
Polarizability
21.333382
Polar Surface Area
38.33
Rotatable Bonds
3
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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