Molecule

ID:61190

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₂
Molecular Mass
205.253
Exact Mass
205.11027873
Charge
0
InChI
InChI=1S/C12H15NO2/c1-13(2)8-7-12(14)10-5-4-6-11(9-10)15-3/h4-9H,1-3H3/b8-7+
InChIKey
QBMMITATXZJWDG-BQYQJAHWSA-N
Canonic Smiles
COc1cccc(c1)C(=O)/C=C/N(C)C
Isomeric Smiles
C(=C\N(C)C)/C(=O)c1cc(OC)ccc1
Calculated Properties
JChem
Acid pKa
17.259203
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7175494
LogD (pH = 7.4)
1.71755
Log P
1.71755
Molar Refractivity
61.2762
Polarizability
22.997671
Polar Surface Area
29.54
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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