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Chemical ID: 4622159
Chemical ID:
4622159
Name [?]:
2-(p-tolyl)benzothiazole
SMILES [?]:
Cc1ccc(cc1)c2nc3ccccc3s2
InChi [?]:
InChI=1/C14H11NS/c1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,11,14,3,7,4,6,2,5,10,15,8,9,16/E:(6,7)(8,9)/rA:16nCCCCCCCCNCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;d11;s12;d13;d10s14;s8s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11NS |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.08882 |
Area: | 401.911 |
Solvation: | -0.958946 |
Coulombic: | -9.2735 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 225.31 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.9 |
LogP (Chemaxon): | 4.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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