Molecule

ID:39143

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₇NO₅
Molecular Mass
409.47488
Exact Mass
409.18892297
Charge
0
InChI
InChI=1S/C24H27NO5/c1-24(2,3)30-15-12-21(22(26)27)25(13-15)23(28)29-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20-21H,12-14H2,1-3H3,(H,26,27)/t15-,21+/m1/s1
InChIKey
WPBXBYOKQUEIDW-VFNWGFHPSA-N
Canonic Smiles
OC(=O)[C@@H]1C[C@H](CN1C(=O)OCC1c2ccccc2c2c1cccc2)OC(C)(C)C
Isomeric Smiles
[C@@H]1(CN([C@@H](C1)C(=O)O)C(=O)OCC1c2c(c3c1cccc3)cccc2)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.8656485
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.22855
LogD (pH = 7.4)
0.6363716
Log P
3.8673713
Molar Refractivity
112.1409
Polarizability
45.007378
Polar Surface Area
76.07
Rotatable Bonds
6
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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