Molecule

ID:42397

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO₂
Molecular Mass
243.30098
Exact Mass
243.12592879
Charge
0
InChI
InChI=1S/C15H17NO2/c1-4-18-15(17)13-7-9-14(10-8-13)16-11(2)5-6-12(16)3/h5-10H,4H2,1-3H3
InChIKey
FIQJDBIRRVQTJN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)n1c(C)ccc1C
Isomeric Smiles
n1(c(ccc1C)C)c1ccc(C(=O)OCC)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0809
LogD (pH = 7.4)
3.0809
Log P
3.0809
Molar Refractivity
82.8837
Polarizability
28.10871
Polar Surface Area
31.23
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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