Molecule

ID:87883

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO₂
Molecular Mass
243.30098
Exact Mass
243.12592879
Charge
0
InChI
InChI=1S/C15H17NO2/c1-5-18-15(17)13-8-12-6-9(2)10(3)7-14(12)16-11(13)4/h6-8H,5H2,1-4H3
InChIKey
PKWJEOYUFQXCBY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc2cc(C)c(cc2nc1C)C
Isomeric Smiles
n1c(c(cc2cc(c(cc12)C)C)C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6299226
LogD (pH = 7.4)
3.6491475
Log P
3.6493983
Molar Refractivity
71.4271
Polarizability
28.518387
Polar Surface Area
39.19
Rotatable Bonds
3
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
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References
Bioactivity
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