Molecule

ID:67906

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₂
Molecular Mass
201.22124
Exact Mass
201.0789786
Charge
0
InChI
InChI=1S/C12H11NO2/c14-12-8-11(6-7-13-12)15-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,13,14)
InChIKey
DOVNUEPFPBWTSV-UHFFFAOYSA-N
Canonic Smiles
O=c1[nH]ccc(c1)OCc1ccccc1
Isomeric Smiles
c1(=O)cc(cc[nH]1)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
11.213216
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4551481
LogD (pH = 7.4)
1.4550897
Log P
1.4551488
Molar Refractivity
59.3014
Polarizability
22.059961
Polar Surface Area
38.33
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
No Data Available
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Molecule Details
References
Bioactivity
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