Molecule

ID:134155

General Information
Structure
MolImage
Molecular Formula
C₂₆H₄₁N₅O₇S
Molecular Mass
567.69804
Exact Mass
567.27266968
Charge
0
InChI
InChI=1S/C26H41N5O7S/c32-20(27-16-8-2-4-12-24(36)38-31-22(34)13-14-23(31)35)10-3-1-7-15-28-21(33)11-6-5-9-19-25-18(17-39-19)29-26(37)30-25/h18-19,25H,1-17H2,(H,27,32)(H,28,33)(H2,29,30,37)/t18-,19-,25-/m0/s1
InChIKey
ATYCFNRXENKXSE-MHPIHPPYSA-N
Canonic Smiles
O=C(NCCCCCC(=O)ON1C(=O)CCC1=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
Isomeric Smiles
C1CC(=O)N(C1=O)OC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2
Calculated Properties
JChem
Acid pKa
13.486875
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
0.30806187
LogD (pH = 7.4)
0.30806476
Log P
0.3080651
Molar Refractivity
143.5245
Polarizability
56.47013
Polar Surface Area
163.01
Rotatable Bonds
19
Lipinski's Rule of Five
false
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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