Molecule

ID:21219

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₉NO₅
Molecular Mass
363.44796
Exact Mass
363.20457303
Charge
0
InChI
InChI=1S/C20H29NO5/c1-19(2,3)13-8-7-9-14(10-13)25-15-11-16(17(22)23)21(12-15)18(24)26-20(4,5)6/h7-10,15-16H,11-12H2,1-6H3,(H,22,23)/t15-,16-/m0/s1
InChIKey
WJRYEPPLCGMVNX-HOTGVXAUSA-N
Canonic Smiles
O=C(N1C[C@H](C[C@H]1C(=O)O)Oc1cccc(c1)C(C)(C)C)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)[C@H](C(=O)O)C[C@@H](C1)Oc1cc(C(C)(C)C)ccc1
Calculated Properties
JChem
Acid pKa
3.6124063
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.0341735
LogD (pH = 7.4)
0.57889205
Log P
3.917562
Molar Refractivity
97.3031
Polarizability
38.416233
Polar Surface Area
76.07
Rotatable Bonds
6
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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