Chemical ID: 5689290

Cc1ccc(cc1)N(CC(C[NH+](CC(C)C)CC(C)C)O)S(=O)(=O)c2ccc(cc2)C
Chemical ID:
5689290
Name [?]:
[2-hydroxy-3-(p-tolyl-(p-tolylsulfonyl)amino)-propyl]-diisobutyl-ammonium
SMILES [?]:
Cc1ccc(cc1)N(CC(C[NH+](CC(C)C)CC(C)C)O)S(=O)(=O)c2ccc(cc2)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H39N2O3S+
All Atoms:31
Heavy Atoms:31
Chiral Atoms:2
ZAP Information [?]
Total:-14.5359
Area:683.164
Solvation:-31.615
Coulombic:2.62338
Bond Count [?]
All:32
Single:24
Double:8
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:447.655
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.49
LogP (Chemaxon):5.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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