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Chemical ID: 4703806
Chemical ID:
4703806
Name [?]:
4-(4-chlorophenyl)-1,1-dioxo-1,4-thiazinane-3,5-dione
SMILES [?]:
c1cc(ccc1N2C(=O)CS(=O)(=O)CC2=O)Cl
InChi [?]:
InChI=1/C10H8ClNO4S/c11-7-1-3-8(4-2-7)12-9(13)5-17(15,16)6-10(12)14/h1-4H,5-6H2
InChi Info:
AuxInfo=1/0/N:2,4,1,5,10,14,3,6,8,15,17,7,9,16,12,13,11/E:(1,2)(3,4)(5,6)(9,10)(13,14)(15,16)/CRV:17.6/rA:17nCCCCCCNCOCSOOCCOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;d11;s11;s7s14;d15;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8ClNO4S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.64192 |
Area: | 414.0 |
Solvation: | -4.70809 |
Coulombic: | -24.3319 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 273.694 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 0.39 |
LogP (Chemaxon): | 0.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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