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Chemical ID: 4751800
Chemical ID:
4751800
Name [?]:
1H-imidazol-2-yl-(2-thienyl)methanone
SMILES [?]:
c1cc(sc1)C(=O)c2[nH]ccn2
InChi [?]:
InChI=1/C8H6N2OS/c11-7(6-2-1-5-12-6)8-9-3-4-10-8/h1-5H,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,10,11,5,3,6,8,9,12,7,4/E:(3,4)(9,10)/rA:12nCCCSCCOCNCCN/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;d10;d8s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H6N2OS |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.38582 |
Area: | 330.149 |
Solvation: | -1.8679 |
Coulombic: | -26.8973 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 178.212 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 0.55 |
LogP (Chemaxon): | 0.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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