Molecule

ID:16862

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₂
Molecular Mass
201.22124
Exact Mass
201.0789786
Charge
0
InChI
InChI=1S/C12H11NO2/c14-12(15)11-5-3-10(4-6-11)9-13-7-1-2-8-13/h1-8H,9H2,(H,14,15)
InChIKey
BVJRENXLDBXRHV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)Cn1cccc1
Isomeric Smiles
c1(Cn2cccc2)ccc(cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.1665382
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3084583
LogD (pH = 7.4)
-0.397081
Log P
2.658862
Molar Refractivity
57.5823
Polarizability
21.710955
Polar Surface Area
42.23
Rotatable Bonds
3
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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