Molecule

ID:79375

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₂
Molecular Mass
187.19466
Exact Mass
187.06332853
Charge
0
InChI
InChI=1S/C11H9NO2/c1-14-11(13)10-6-8-4-2-3-5-9(8)7-12-10/h2-7H,1H3
InChIKey
ZBCGBIZQNMVMPC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ncc2c(c1)cccc2
Isomeric Smiles
n1c(cc2c(c1)cccc2)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9341197
LogD (pH = 7.4)
1.9343742
Log P
1.9343774
Molar Refractivity
52.0046
Polarizability
21.377996
Polar Surface Area
39.19
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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