Chemical ID: 4342989

c1ccc(c(c1)C(=S)N2CCCCC2)OC(=O)c3cc(cc(c3)[N+](=O)[O-])[N+](=O)[O-]
Chemical ID:
4342989
Name [?]:
[2-(1-piperidylcarbothioyl)phenyl] 3,5-dinitrobenzoate
SMILES [?]:
c1ccc(c(c1)C(=S)N2CCCCC2)OC(=O)c3cc(cc(c3)[N+](=O)[O-])[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H17N3O6S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:1.43009
Area:611.563
Solvation:-13.859
Coulombic:-44.9196
Bond Count [?]
All:31
Single:21
Double:10
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:415.421
H-Bond Donors:0
H-Bond Acceptors:9
XLogP:4.41
LogP (Chemaxon):3.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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