Molecule

ID:39566

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₉NO₅
Molecular Mass
411.49076
Exact Mass
411.20457303
Charge
0
InChI
InChI=1S/C24H29NO5/c1-15(30-24(2,3)4)21(22(26)27)25(5)23(28)29-14-20-18-12-8-6-10-16(18)17-11-7-9-13-19(17)20/h6-13,15,20-21H,14H2,1-5H3,(H,26,27)/t15?,21-/m0/s1
InChIKey
VIUVLZHFMIFLHU-FXMQYSIJSA-N
Canonic Smiles
OC(=O)[C@@H](N(C(=O)OCC1c2ccccc2c2c1cccc2)C)C(OC(C)(C)C)C
Isomeric Smiles
[C@H](N(C)C(=O)OCC1c2c(c3c1cccc3)cccc2)(C(C)OC(C)(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.91265
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.74224
LogD (pH = 7.4)
1.1287347
Log P
4.3357444
Molar Refractivity
113.9931
Polarizability
45.736404
Polar Surface Area
76.07
Rotatable Bonds
8
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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