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Chemical ID: 3966946
Chemical ID:
3966946
Name [?]:
9-chloro-5,5-dioxo-5$l^{6}-thia-2,4-diazabicyclo[4.4.0]deca-7,9,11-triene-8-sulfonamide
SMILES [?]:
c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2
InChi [?]:
InChI=1/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
InChi Info:
AuxInfo=1/1/N:1,4,16,6,2,5,3,7,11,17,15,9,10,13,14,8,12/E:(12,13)(14,15)/CRV:16.6,17.6/rA:17nCCCCCCClSOONSOONCN/rB:s1;d2;s3;d4;d1s5;s6;s5;d8;d8;s8;s3;d12;d12;s12;s15;s2s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H8ClN3O4S2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.43269 |
Area: | 409.893 |
Solvation: | -3.81463 |
Coulombic: | -36.3673 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 297.741 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 7 |
XLogP: | -0.47 |
LogP (Chemaxon): | 0.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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