Molecule

ID:109762

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(8-12)7-9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
XLNFLJOWTRDNCX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)/C(=C\c1ccccc1)/C#N
Isomeric Smiles
COC(=O)/C(=C\c1ccccc1)/C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3271723
LogD (pH = 7.4)
2.3271723
Log P
2.3271723
Molar Refractivity
52.8826
Polarizability
19.969803
Polar Surface Area
50.09
Rotatable Bonds
3
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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