Molecule

ID:74300

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₃
Molecular Mass
193.19924
Exact Mass
193.07389322
Charge
0
InChI
InChI=1S/C10H11NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,1-3H3
InChIKey
OSBQUSPVORCDCU-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C#N)cc(c1OC)OC
Isomeric Smiles
O(c1c(c(cc(c1)C#N)OC)OC)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.3563282
LogD (pH = 7.4)
1.3563282
Log P
1.3563282
Molar Refractivity
51.1692
Polarizability
19.73401
Polar Surface Area
51.48
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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