Molecule

ID:131140

General Information
Structure
MolImage
Molecular Formula
C₂₃H₄₄N₁₀O₅
Molecular Mass
540.65946
Exact Mass
540.34961456
Charge
0
InChI
InChI=1S/C23H44N10O5/c1-13(25)19(35)32-16(8-5-11-29-23(27)28)22(38)33-12-6-9-17(33)21(37)30-14(2)20(36)31-15(18(26)34)7-3-4-10-24/h13-17H,3-12,24-25H2,1-2H3,(H2,26,34)(H,30,37)(H,31,36)(H,32,35)(H4,27,28,29)
InChIKey
DQZXKKJZHJDMJN-UHFFFAOYSA-N
Canonic Smiles
NCCCCC(C(=O)N)NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)C)CCCNC(=N)N)C
Isomeric Smiles
CC(C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CCCCN)C(=O)N)N
Calculated Properties
JChem
Acid pKa
12.211237
H Acceptors
10
H Donor
9
LogD (pH = 5.5)
-12.176467
LogD (pH = 7.4)
-10.060876
Log P
-4.7182403
Molar Refractivity
149.9362
Polarizability
54.6014
Polar Surface Area
264.64
Rotatable Bonds
16
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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