Molecule

ID:19946

General Information
Structure
Molecular Formula
C₁₅H₁₇NO₂
Molecular Mass
243.30098
Exact Mass
243.12592879
Charge
0
InChI
InChI=1S/C15H17NO2/c1-3-17-12-5-4-6-13(10-12)18-15-9-11(2)7-8-14(15)16/h4-10H,3,16H2,1-2H3
InChIKey
GOUZBYFYRUERBK-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc(c1)Oc1cc(C)ccc1N
Isomeric Smiles
c1(Oc2cc(OCC)ccc2)c(ccc(c1)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.353533
LogD (pH = 7.4)
3.3571193
Log P
3.357165
Molar Refractivity
73.2522
Polarizability
27.927835
Polar Surface Area
44.48
Rotatable Bonds
4
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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