Molecule

ID:80466

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₂
Molecular Mass
187.19466
Exact Mass
187.06332853
Charge
0
InChI
InChI=1S/C11H9NO2/c1-8-10(7-13)11(12-14-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
SMSBKEHQYUYAHK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)onc1c1ccccc1
Isomeric Smiles
n1c(c2ccccc2)c(c(o1)C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2829292
LogD (pH = 7.4)
2.2829306
Log P
2.2829306
Molar Refractivity
53.9979
Polarizability
20.930645
Polar Surface Area
43.1
Rotatable Bonds
2
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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