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Chemical ID: 6730620
Chemical ID:
6730620
Name [?]:
(4-isobutylphenyl)sulfonyl-(m-tolyl)azanide
SMILES [?]:
Cc1cccc(c1)[N-]S(=O)(=O)c2ccc(cc2)CC(C)C
InChi [?]:
InChI=1/C17H20NO2S/c1-13(2)11-15-7-9-17(10-8-15)21(19,20)18-16-6-4-5-14(3)12-16/h4-10,12-13H,11H2,1-3H3/q-1
InChi Info:
AuxInfo=1/0/N:20,21,1,4,3,5,14,16,13,17,18,7,19,2,15,6,12,8,10,11,9/E:(1,2)(7,8)(9,10)(19,20)/CRV:18-1,21.6/rA:21nCCCCCCCN-SOOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;s18;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20NO2S- |
All Atoms: | 41 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -22.528 |
Area: | 507.977 |
Solvation: | -35.2274 |
Coulombic: | 24.9972 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 302.412 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.97 |
LogP (Chemaxon): | 4.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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