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Chemical ID: 5607505
Chemical ID:
5607505
Name [?]:
N-carbamoyl-2-(7,9,9-trioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-2,4,10-trien-8-yl)-acetamide
SMILES [?]:
c1ccc2c(c1)C(=O)N(S2(=O)=O)CC(=O)NC(=O)N
InChi [?]:
InChI=1/C10H9N3O5S/c11-10(16)12-8(14)5-13-9(15)6-3-1-2-4-7(6)19(13,17)18/h1-4H,5H2,(H3,11,12,14,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,13,5,4,14,7,17,19,16,9,15,8,18,11,12,10/E:(17,18)/CRV:19.6/rA:19nCCCCCCCONSOOCCONCON/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;d10;d10;s9;s13;d14;s14;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9N3O5S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.16155 |
Area: | 432.551 |
Solvation: | -5.65222 |
Coulombic: | -60.5649 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 283.262 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 8 |
XLogP: | -0.66 |
LogP (Chemaxon): | -0.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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