Molecule

ID:18837

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₂
Molecular Mass
187.19466
Exact Mass
187.06332853
Charge
0
InChI
InChI=1S/C11H9NO2/c1-14-11-9(7-13)6-8-4-2-3-5-10(8)12-11/h2-7H,1H3
InChIKey
HMZDGMVJEGFPHU-UHFFFAOYSA-N
Canonic Smiles
COc1nc2ccccc2cc1C=O
Isomeric Smiles
n1c(c(cc2c1cccc2)C=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2801573
LogD (pH = 7.4)
2.2801886
Log P
2.280189
Molar Refractivity
53.34
Polarizability
21.371714
Polar Surface Area
39.19
Rotatable Bonds
2
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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