Molecule

ID:24164

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₆Cl₂N₄O₄
Molecular Mass
539.49444
Exact Mass
538.21136101
Charge
0
InChI
InChI=1S/2C12H17ClN2.C2H2O4/c2*13-11-5-3-10(4-6-11)12(9-14)15-7-1-2-8-15;3-1(4)2(5)6/h2*3-6,12H,1-2,7-9,14H2;(H,3,4)(H,5,6)
InChIKey
DUGCIVZIVQMSQC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)O.NCC(c1ccc(cc1)Cl)N1CCCC1.NCC(c1ccc(cc1)Cl)N1CCCC1
Isomeric Smiles
C(c1ccc(cc1)Cl)(N1CCCC1)CN.C(=O)(O)C(=O)O.C(c1ccc(cc1)Cl)(N1CCCC1)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4604746
LogD (pH = 7.4)
0.5490657
Log P
2.187268
Molar Refractivity
64.5665
Polarizability
25.562443
Polar Surface Area
29.26
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
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Molecule Details
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References
Bioactivity
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