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Chemical ID: 5240757
Chemical ID:
5240757
Name [?]:
N-(8-oxo-7-thia-5-azabicyclo[4.4.0]deca-2,4,9,11-tetraen-9-yl)acetamide
SMILES [?]:
CC(=O)Nc1cc2cccnc2sc1=O
InChi [?]:
InChI=1/C10H8N2O2S/c1-6(13)12-8-5-7-3-2-4-11-9(7)15-10(8)14/h2-5H,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,9,8,10,6,2,7,5,12,14,11,4,3,15,13/rA:15nCCONCCCCCCNCSCO/rB:s1;d2;s2;s4;d5;s6;s7;d8;s9;d10;d7s11;s12;s5s13;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8N2O2S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.5908 |
Area: | 376.779 |
Solvation: | -2.82868 |
Coulombic: | -33.8997 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 220.249 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.93 |
LogP (Chemaxon): | 2.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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