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Chemical ID: 6709610
Chemical ID:
6709610
Name [?]:
(2,5-dimethylphenyl)-(p-tolylsulfonyl)azanide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)[N-]c2cc(ccc2C)C
InChi [?]:
InChI=1/C15H16NO2S/c1-11-5-8-14(9-6-11)19(17,18)16-15-10-12(2)4-7-13(15)3/h4-10H,1-3H3/q-1
InChi Info:
AuxInfo=1/0/N:1,19,18,15,3,7,16,4,6,13,2,14,17,5,12,11,9,10,8/E:(5,6)(8,9)(17,18)/CRV:16-1,19.6/rA:19nCCCCCCCSOON-CCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16NO2S- |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -23.364 |
Area: | 463.674 |
Solvation: | -34.9558 |
Coulombic: | 26.6382 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 274.359 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.66 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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