Chemical ID: 4784179

Cc1c([nH]cn1)C(=O)NN=Cc2ccc(s2)[N+](=O)[O-]
Chemical ID:
4784179
Name [?]:
5-methyl-N-[(5-nitro-2-thienyl)methyleneamino]-3H-imidazole-4-carboxamide
SMILES [?]:
Cc1c([nH]cn1)C(=O)NN=Cc2ccc(s2)[N+](=O)[O-]
InChi [?]:
InChI=1/C10H9N5O3S/c1-6-9(12-5-11-6)10(16)14-13-4-7-2-3-8(19-7)15(17)18/h2-5H,1H3,(H,11,12)(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,13,14,11,5,2,12,15,3,7,6,4,10,9,17,8,18,19,16/E:(17,18)/CRV:15.5/rA:19nCCCNCNCONNCCCCCSN+OO-/rB:s1;d2;s3;s4;s2d5;s3;d7;s7;s9;w10;s11;d12;s13;d14;s12s15;s15;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9N5O3S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:1.68408
Area:449.124
Solvation:-9.54403
Coulombic:-45.153
Bond Count [?]
All:20
Single:13
Double:7
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:279.276
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.29
LogP (Chemaxon):0.18

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