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Chemical ID: 7707866
Chemical ID:
7707866
Name [?]:
None
SMILES [?]:
Cc1ccccc1S(=O)(=O)Nc2ccc(c(c2)C)Br
InChi [?]:
InChI=1/C14H14BrNO2S/c1-10-5-3-4-6-14(10)19(17,18)16-12-7-8-13(15)11(2)9-12/h3-9,16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,4,5,3,6,13,14,17,2,16,12,15,7,19,11,9,10,8/E:(17,18)/CRV:19.6/rA:19nCCCCCCCSOONCCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14BrNO2S |
All Atoms: | 33 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.65307 |
Area: | 449.661 |
Solvation: | -1.58846 |
Coulombic: | -14.1997 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.97 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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