Molecule

ID:36025

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₇NO₂
Molecular Mass
279.33308
Exact Mass
279.12592879
Charge
0
InChI
InChI=1S/C18H17NO2/c1-2-21-16-8-9-18-17(10-16)15(13-20)12-19(18)11-14-6-4-3-5-7-14/h3-10,12-13H,2,11H2,1H3
InChIKey
ZYFQOLDRMSYFGC-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc2c(c1)c(C=O)cn2Cc1ccccc1
Isomeric Smiles
c1(ccc2n(cc(c2c1)C=O)Cc1ccccc1)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.931796
LogD (pH = 7.4)
3.931796
Log P
3.931796
Molar Refractivity
84.4496
Polarizability
33.195156
Polar Surface Area
31.23
Rotatable Bonds
5
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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