Molecule

ID:58892

General Information
Structure
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-13-10-5-7-3-9(12)4-8(7)6-11(10)14-2/h5-6,9H,3-4,12H2,1-2H3
InChIKey
TZASGTHDRXFGHT-UHFFFAOYSA-N
Canonic Smiles
COc1cc2CC(Cc2cc1OC)N
Isomeric Smiles
c12c(cc(c(c1)OC)OC)CC(C2)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8457927
LogD (pH = 7.4)
-1.2759339
Log P
1.1719885
Molar Refractivity
55.1926
Polarizability
21.526588
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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