Chemical ID: 4703806

c1cc(ccc1N2C(=O)CS(=O)(=O)CC2=O)Cl
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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