Molecule

ID:75608

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₁NO₃
Molecular Mass
323.38564
Exact Mass
323.15214354
Charge
0
InChI
InChI=1S/C20H21NO3/c1-20(2,3)24-19(22)21-12-11-16-9-10-17(13-18(16)21)23-14-15-7-5-4-6-8-15/h4-13H,14H2,1-3H3
InChIKey
SRPBCFXYURDQFS-UHFFFAOYSA-N
Canonic Smiles
O=C(n1ccc2c1cc(OCc1ccccc1)cc2)OC(C)(C)C
Isomeric Smiles
n1(c2c(ccc(c2)OCc2ccccc2)cc1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.6318693
LogD (pH = 7.4)
4.6318693
Log P
4.6318693
Molar Refractivity
92.9198
Polarizability
37.61691
Polar Surface Area
40.46
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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