Molecule

ID:74382

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NO₂
Molecular Mass
153.17844
Exact Mass
153.0789786
Charge
0
InChI
InChI=1S/C8H11NO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,9H2,1-2H3
InChIKey
NAZDVUBIEPVUKE-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)N)OC
Isomeric Smiles
Nc1c(ccc(c1)OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8191934
LogD (pH = 7.4)
0.8288528
Log P
0.82897735
Molar Refractivity
43.6848
Polarizability
16.504839
Polar Surface Area
44.48
Rotatable Bonds
2
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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