Molecule

ID:62246

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁NO₃
Molecular Mass
311.37494
Exact Mass
311.15214354
Charge
0
InChI
InChI=1S/C19H21NO3/c1-22-18(21)19(8-11-23-12-9-19)13-15-5-2-3-7-17(15)16-6-4-10-20-14-16/h2-7,10,14H,8-9,11-13H2,1H3
InChIKey
FNNKZAOSTGFTGW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1(CCOCC1)Cc1ccccc1c1cccnc1
Isomeric Smiles
C1(C(=O)OC)(Cc2c(c3cnccc3)cccc2)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.849643
LogD (pH = 7.4)
2.9067028
Log P
2.907494
Molar Refractivity
88.3398
Polarizability
35.848648
Polar Surface Area
48.42
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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