Molecule

ID:86327

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)14-10-11(2)16(12(14)3)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3
InChIKey
LNBCSWPBLZPWKQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(n(c1C)c1ccccc1)C
Isomeric Smiles
n1(c2ccccc2)c(c(cc1C)C(=O)OCC)C
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
28.11347
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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