Chemical ID: 6836614

COc1ccccc1[N-]S(=O)(=O)c2cccc(c2)F
Chemical ID:
6836614
Name [?]:
(3-fluorophenyl)sulfonyl-(2-methoxyphenyl)-azanide
SMILES [?]:
COc1ccccc1[N-]S(=O)(=O)c2cccc(c2)F
InChi [?]:
InChI=1/C13H11FNO3S/c1-18-13-8-3-2-7-12(13)15-19(16,17)11-6-4-5-10(14)9-11/h2-9H,1H3/q-1
InChi Info:
AuxInfo=1/0/N:1,6,5,15,16,14,7,4,18,17,13,8,3,19,9,11,12,2,10/E:(16,17)/CRV:15-1,19.6/rA:19nCOCCCCCCN-SOOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11FNO3S-
All Atoms:30
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-26.6364
Area:441.104
Solvation:-37.664
Coulombic:16.565
Bond Count [?]
All:20
Single:12
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:280.296
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.63
LogP (Chemaxon):2.49

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