Chemical ID: 4296970

c1cc(sc1)C(=O)Nc2ncc(s2)[N+](=O)[O-]
Chemical ID:
4296970
Name [?]:
N-(5-nitrothiazol-2-yl)thiophene-2-carboxamide
SMILES [?]:
c1cc(sc1)C(=O)Nc2ncc(s2)[N+](=O)[O-]
InChi [?]:
InChI=1/C8H5N3O3S2/c12-7(5-2-1-3-15-5)10-8-9-4-6(16-8)11(13)14/h1-4H,(H,9,10,12)
InChi Info:
AuxInfo=1/1/N:1,2,5,11,3,12,6,9,10,8,14,7,15,16,4,13/E:(13,14)/CRV:11.5/rA:16nCCCSCCONCNCCSN+OO-/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;d9;s10;d11;s9s12;s12;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H5N3O3S2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:2.91521
Area:423.444
Solvation:-7.67089
Coulombic:-39.1053
Bond Count [?]
All:17
Single:11
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:255.276
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.35
LogP (Chemaxon):1.66

Name Annotations

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Descriptor Annotations

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