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Chemical ID: 6479277
Chemical ID:
6479277
Name [?]:
3-chloro-9-ethyl-7,7-dioxo-7$l^{6}-thia-8,10-diazabicyclo[4.4.0]deca-2,4,11-triene-4-sulfonamide
SMILES [?]:
CCC1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl
InChi [?]:
InChI=1/C9H12ClN3O4S2/c1-2-9-12-6-3-5(10)7(18(11,14)15)4-8(6)19(16,17)13-9/h3-4,9,12-13H,2H2,1H3,(H2,11,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,9,7,5,8,10,3,19,18,4,14,16,17,12,13,15,11/E:(14,15)(16,17)/CRV:18.6,19.6/rA:19cCCCNCCCCCCSOONSOONCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;d11;d11;s3s11;s8;d15;d15;s15;s7;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12ClN3O4S2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.68993 |
Area: | 454.486 |
Solvation: | -3.67222 |
Coulombic: | -37.0951 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 325.794 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 7 |
XLogP: | 0.34 |
LogP (Chemaxon): | 1.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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