Molecule

ID:39419

General Information
Structure
MolImage
Molecular Formula
C₂₆H₂₅NO₄
Molecular Mass
415.481
Exact Mass
415.17835829
Charge
0
InChI
InChI=1S/C26H25NO4/c28-25(29)16-19(15-14-18-8-2-1-3-9-18)27-26(30)31-17-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,19,24H,14-17H2,(H,27,30)(H,28,29)/t19-/m1/s1
InChIKey
FYJRCXFXXJMPFO-LJQANCHMSA-N
Canonic Smiles
OC(=O)C[C@H](NC(=O)OCC1c2ccccc2c2c1cccc2)CCc1ccccc1
Isomeric Smiles
c1ccccc1CC[C@H](CC(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2
Calculated Properties
JChem
Acid pKa
4.404072
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.1032085
LogD (pH = 7.4)
2.3461754
Log P
5.2310357
Molar Refractivity
118.4214
Polarizability
47.289543
Polar Surface Area
75.63
Rotatable Bonds
9
Lipinski's Rule of Five
false
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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