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Chemical ID: 6836575
Chemical ID:
6836575
Name [?]:
(2-fluorophenyl)-(m-tolylsulfonyl)azanide
SMILES [?]:
Cc1cccc(c1)S(=O)(=O)[N-]c2ccccc2F
InChi [?]:
InChI=1/C13H11FNO2S/c1-10-5-4-6-11(9-10)18(16,17)15-13-8-3-2-7-12(13)14/h2-9H,1H3/q-1
InChi Info:
AuxInfo=1/0/N:1,15,14,4,3,5,16,13,7,2,6,17,12,18,11,9,10,8/E:(16,17)/CRV:15-1,18.6/rA:18nCCCCCCCSOON-CCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11FNO2S- |
All Atoms: | 29 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -24.7287 |
Area: | 427.017 |
Solvation: | -35.4042 |
Coulombic: | 19.7805 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 264.296 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.15 |
LogP (Chemaxon): | 3.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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