Molecule

ID:125520

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₃NO₄
Molecular Mass
341.40092
Exact Mass
341.16270822
Charge
0
InChI
InChI=1S/C20H23NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4-7,13-14,16,19H,8-10H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1
InChIKey
MFXFQKMUCYHPFQ-BKRJIHRRSA-N
Canonic Smiles
COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1OC(=O)C)C
Isomeric Smiles
O=C(O[C@H]1C=C[C@H]2[C@@H]3N(CC[C@]42c2c(O[C@@H]14)c(OC)ccc2C3)C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-1.490264
LogD (pH = 7.4)
0.020194277
Log P
1.7840767
Molar Refractivity
93.7562
Polarizability
36.523083
Polar Surface Area
48.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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