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Chemical ID: 7246868
Chemical ID:
7246868
Name [?]:
7-(5-methyl-2-thienyl)-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one
SMILES [?]:
Cc1ccc(s1)c2csc3c2c(=O)[nH]cn3
InChi [?]:
InChI=1/C11H8N2OS2/c1-6-2-3-8(16-6)7-4-15-11-9(7)10(14)12-5-13-11/h2-5H,1H3,(H,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,4,8,15,2,7,5,11,12,10,14,16,13,9,6/rA:16nCCCCCSCCSCCCONCN/rB:s1;d2;s3;d4;s2s5;s5;d7;s8;s9;s7d10;s11;d12;s12;s14;s10d15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H8N2OS2 |
All Atoms: | 24 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.72029 |
Area: | 394.069 |
Solvation: | -2.13144 |
Coulombic: | -26.4011 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 248.326 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 0.78 |
LogP (Chemaxon): | 1.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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