Molecule

ID:132714

General Information
Structure
MolImage
Molecular Formula
C₂₁H₃₂N₄O₆
Molecular Mass
436.50198
Exact Mass
436.23218476
Charge
0
InChI
InChI=1S/C21H32N4O6/c1-12-18(27)22-13(2)19(28)24-14(7-4-3-5-9-16(26)17-11-31-17)21(30)25-10-6-8-15(25)20(29)23-12/h12-15,17H,3-11H2,1-2H3,(H,22,27)(H,23,29)(H,24,28)
InChIKey
GNYCTMYOHGBSBI-UHFFFAOYSA-N
Canonic Smiles
O=C1NC(CCCCCC(=O)C2CO2)C(=O)N2CCCC2C(=O)NC(C(=O)NC1C)C
Isomeric Smiles
CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)C)CCCCCC(=O)C1CO1
Calculated Properties
JChem
Acid pKa
10.796976
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
-0.69692177
LogD (pH = 7.4)
-0.69707406
Log P
-0.6969198
Molar Refractivity
109.2529
Polarizability
42.978123
Polar Surface Area
137.21
Rotatable Bonds
7
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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