Chemical ID: 4265646

c1ccc(c(c1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)Nc2cccc(c2)C(=O)O)[N+](=O)[O-]
Chemical ID:
4265646
Name [?]:
3-[[2,2,2-trichloro-1-(2-nitrobenzoyl)amino-ethyl]thiocarbamoylamino]benzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)Nc2cccc(c2)C(=O)O)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H13Cl3N4O5S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:6.73938
Area:652.805
Solvation:-9.58073
Coulombic:-86.3499
Bond Count [?]
All:31
Single:21
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:491.733
H-Bond Donors:4
H-Bond Acceptors:9
XLogP:4.3
LogP (Chemaxon):4.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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