Chemical ID: 4496039

c1cc(sc1)c2cc(c(c(n2)SCc3ccc(cc3)C(=O)O)C#N)C(F)(F)F
Chemical ID:
4496039
Name [?]:
4-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]benzoic acid
SMILES [?]:
c1cc(sc1)c2cc(c(c(n2)SCc3ccc(cc3)C(=O)O)C#N)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H11F3N2O2S2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.5049
Area:607.497
Solvation:-3.68253
Coulombic:-55.8602
Bond Count [?]
All:30
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:420.43
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.36
LogP (Chemaxon):5.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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