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Chemical ID: 6836614
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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