Molecule

ID:37167

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NO₂
Molecular Mass
153.17844
Exact Mass
153.0789786
Charge
0
InChI
InChI=1S/C8H11NO2/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5H,9H2,1-2H3
InChIKey
HEZIOZBMPKPOER-UHFFFAOYSA-N
Canonic Smiles
COc1c(OC)cccc1N
Isomeric Smiles
c1(c(N)cccc1OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8140581
LogD (pH = 7.4)
0.82878625
Log P
0.82897735
Molar Refractivity
43.6848
Polarizability
16.507187
Polar Surface Area
44.48
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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