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Chemical ID: 5337383
Chemical ID:
5337383
Name [?]:
8-thiazol-2-yl-9-thia-8-azabicyclo[4.3.0]nona-2,4,10-trien-7-one
SMILES [?]:
c1ccc2c(c1)c(=O)n(s2)c3nccs3
InChi [?]:
InChI=1/C10H6N2OS2/c13-9-7-3-1-2-4-8(7)15-12(9)10-11-5-6-14-10/h1-6H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,13,14,5,4,7,11,12,9,8,15,10/rA:15nCCCCCCCONSCNCCS/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;s9;d11;s12;d13;s11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H6N2OS2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.47613 |
Area: | 381.854 |
Solvation: | -2.07023 |
Coulombic: | -21.6133 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 234.3 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.95 |
LogP (Chemaxon): | 2.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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