Molecule

ID:34960

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)9-4-5-10-8(7-9)3-2-6-12-10/h2-7H,1H3
InChIKey
XSRWQTDEIOHXSL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(c1)cccn2
Isomeric Smiles
C(=O)(c1cc2c(nccc2)cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1249325
LogD (pH = 7.4)
2.134257
Log P
2.1343775
Molar Refractivity
52.0046
Polarizability
21.373922
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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