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Chemical ID: 6836628
Chemical ID:
6836628
Name [?]:
(3-chloro-4-fluoro-phenyl)sulfonyl-(2-fluorophenyl)-azanide
SMILES [?]:
c1ccc(c(c1)[N-]S(=O)(=O)c2ccc(c(c2)Cl)F)F
InChi [?]:
InChI=1/C12H7ClF2NO2S/c13-9-7-8(5-6-10(9)14)19(17,18)16-12-4-2-1-3-11(12)15/h1-7H/q-1
InChi Info:
AuxInfo=1/0/N:2,1,3,6,12,13,16,11,15,14,4,5,17,18,19,7,9,10,8/E:(17,18)/CRV:16-1,19.6/rA:19nCCCCCCN-SOOCCCCCCClFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s15;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H7ClF2NO2S- |
All Atoms: | 26 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -22.6899 |
Area: | 444.709 |
Solvation: | -33.8077 |
Coulombic: | 14.3588 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 302.705 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.5 |
LogP (Chemaxon): | 3.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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