Molecule

ID:77966

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₃NO₄
Molecular Mass
353.41162
Exact Mass
353.16270822
Charge
0
InChI
InChI=1S/C21H23NO4/c1-21(2,3)26-20(24)22-14-17(23)25-19(16-12-8-5-9-13-16)18(22)15-10-6-4-7-11-15/h4-13,18-19H,14H2,1-3H3/t18-,19+/m0/s1
InChIKey
MRUKRSQUUNYOFK-RBUKOAKNSA-N
Canonic Smiles
O=C1CN(C(=O)OC(C)(C)C)[C@H]([C@H](O1)c1ccccc1)c1ccccc1
Isomeric Smiles
c1(ccccc1)[C@H]1OC(=O)CN([C@H]1c1ccccc1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.1111474
LogD (pH = 7.4)
4.1111474
Log P
4.1111474
Molar Refractivity
97.1388
Polarizability
38.424725
Polar Surface Area
55.84
Rotatable Bonds
4
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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