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Chemical ID: 6940543
Chemical ID:
6940543
Name [?]:
N-(3,5-dibromo-2,6-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)-4-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)N=C2C(=C(C(=O)C(=C2C)Br)Br)C
InChi [?]:
InChI=1/C15H13Br2NO3S/c1-8-4-6-11(7-5-8)22(20,21)18-14-9(2)12(16)15(19)13(17)10(14)3/h4-7H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,22,3,7,4,6,2,18,13,5,17,14,12,15,20,21,11,16,9,10,8/E:(2,3)(4,5)(6,7)(9,10)(12,13)(16,17)(20,21)/CRV:22.6/rA:22nCCCCCCCSOONCCCCOCCCBrBrC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;d11;s12;d13;s14;d15;s15;s12d17;s18;s17;s14;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13Br2NO3S |
All Atoms: | 35 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7226 |
Area: | 510.199 |
Solvation: | -2.03238 |
Coulombic: | -15.8656 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 447.143 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.35 |
LogP (Chemaxon): | 5.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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