Molecule

ID:30864

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-8-5-4-6-9(7-8)10(11(13)14)12(2)3/h4-7,10H,1-3H3,(H,13,14)
InChIKey
QBABJNHFWCOFLW-UHFFFAOYSA-N
Canonic Smiles
CN(C(c1cccc(c1)C)C(=O)O)C
Isomeric Smiles
c1(C(C(=O)O)N(C)C)cc(ccc1)C
Calculated Properties
JChem
Acid pKa
1.7717713
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.6106475
LogD (pH = 7.4)
-0.61352116
Log P
-0.6106828
Molar Refractivity
55.4718
Polarizability
21.488174
Polar Surface Area
40.54
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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