Molecule

ID:38660

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₇NO₄
Molecular Mass
393.47548
Exact Mass
393.19400835
Charge
0
InChI
InChI=1S/C24H27NO4/c26-23(27)22(14-16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,16,21-22H,1-3,8-9,14-15H2,(H,25,28)(H,26,27)/t22-/m1/s1
InChIKey
HIJAUEZBPWTKIV-JOCHJYFZSA-N
Canonic Smiles
O=C(N[C@@H](C(=O)O)CC1CCCCC1)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
[C@@H](CC1CCCCC1)(C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2
Calculated Properties
JChem
Acid pKa
3.9593003
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.6208134
LogD (pH = 7.4)
1.9874604
Log P
5.1694074
Molar Refractivity
110.2515
Polarizability
44.319756
Polar Surface Area
75.63
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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