Molecule

ID:75209

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NO₂
Molecular Mass
153.17844
Exact Mass
153.0789786
Charge
0
InChI
InChI=1S/C8H11NO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,9H2,1-2H3
InChIKey
GEQNZVKIDIPGCO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)OC)N
Isomeric Smiles
O(c1cc(c(cc1)N)OC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7040592
LogD (pH = 7.4)
0.8271556
Log P
0.82897735
Molar Refractivity
43.6848
Polarizability
16.504578
Polar Surface Area
44.48
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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