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Chemical ID: 4784179
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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