Chemical ID: 6836628

c1ccc(c(c1)[N-]S(=O)(=O)c2ccc(c(c2)Cl)F)F
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

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Descriptor Annotations

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