Molecule

ID:21252

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₃NO₅
Molecular Mass
357.40032
Exact Mass
357.15762284
Charge
0
InChI
InChI=1S/C20H23NO5/c1-20(2,3)26-19(24)21-12-16(11-17(21)18(22)23)25-15-9-8-13-6-4-5-7-14(13)10-15/h4-10,16-17H,11-12H2,1-3H3,(H,22,23)/t16-,17-/m0/s1
InChIKey
MUZBVLZKNSSONR-IRXDYDNUSA-N
Canonic Smiles
O=C(N1C[C@H](C[C@H]1C(=O)O)Oc1ccc2c(c1)cccc2)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)[C@H](C(=O)O)C[C@@H](C1)Oc1cc2c(cc1)cccc2
Calculated Properties
JChem
Acid pKa
3.8285675
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.6873733
LogD (pH = 7.4)
0.1129525
Log P
3.3619823
Molar Refractivity
95.0874
Polarizability
38.602432
Polar Surface Area
76.07
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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