Molecule

ID:47539

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)14-9-7-8-10-16(14)25-13-11-15(17(22)23)21(12-13)18(24)26-20(4,5)6/h7-10,13,15H,11-12H2,1-6H3,(H,22,23)/t13-,15-/m0/s1
InChIKey
UCFQPSTUKYRWNU-ZFWWWQNUSA-N
Canonic Smiles
O=C(N1C[C@H](C[C@H]1C(=O)O)Oc1ccccc1C(C)(C)C)OC(C)(C)C
Isomeric Smiles
[C@@H]1(C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O)Oc1ccccc1C(C)(C)C
Calculated Properties
JChem
Acid pKa
4.0152307
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.4226975
LogD (pH = 7.4)
0.76729316
Log P
3.917562
Molar Refractivity
97.3031
Polarizability
38.41713
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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