Molecule

ID:119520

General Information
Structure
Molecular Formula
C₁₁H₉NO₂
Molecular Mass
187.19466
Exact Mass
187.06332853
Charge
0
InChI
InChI=1S/C11H9NO2/c1-14-10-4-5-11-8(6-10)2-3-9(7-13)12-11/h2-7H,1H3
InChIKey
AYIIFDAAXPMDAG-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)ccc(n2)C=O
Isomeric Smiles
n1c2c(cc(cc2)OC)ccc1C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3588321
LogD (pH = 7.4)
2.3602564
Log P
2.3602746
Molar Refractivity
52.6413
Polarizability
21.370846
Polar Surface Area
39.19
Rotatable Bonds
2
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
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References
Bioactivity
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