Chemical ID: 5669681

Cc1ccc(cc1)n2c(n[nH+]c2SCc3ccc(cc3)C(=O)[O-])c4ccc(cc4)Cl
Chemical ID:
5669681
Name [?]:
4-[[5-(4-chlorophenyl)-4-(p-tolyl)-1,4-diaza-2-azoniacyclopenta-2,5-dien-3-yl]sulfanylmethyl]benzoate
SMILES [?]:
Cc1ccc(cc1)n2c(n[nH+]c2SCc3ccc(cc3)C(=O)[O-])c4ccc(cc4)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H18ClN3O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:-42.2791
Area:660.334
Solvation:-58.7874
Coulombic:-16.4061
Bond Count [?]
All:33
Single:21
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:435.927
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:7.16
LogP (Chemaxon):6.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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