Molecule

ID:75456

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₂
Molecular Mass
189.21054
Exact Mass
189.0789786
Charge
0
InChI
InChI=1S/C11H11NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h3-7H,1-2H3
InChIKey
JAJVYESKUNMYPN-UHFFFAOYSA-N
Canonic Smiles
COc1cc2cnccc2cc1OC
Isomeric Smiles
n1cc2cc(c(cc2cc1)OC)OC
Calculated Properties
JChem
LogD (pH = 7.4)
1.41
LogD (pH = 5.5)
0.82
Log P
1.43
Rotatable Bonds
2
H Donor
0
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
6.22
Polar Surface Area
31.35
Polarizability
19.86
Molar Refractivity
53.28
LOG S
-2.18
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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