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Chemical ID: 6429158
Chemical ID:
6429158
Name [?]:
2-styrylbenzothiazole
SMILES [?]:
c1ccc(cc1)C=Cc2nc3ccccc3s2
InChi [?]:
InChI=1/C15H11NS/c1-2-6-12(7-3-1)10-11-15-16-13-8-4-5-9-14(13)17-15/h1-11H
InChi Info:
AuxInfo=1/0/N:1,2,6,13,14,3,5,12,15,7,8,4,11,16,9,10,17/E:(2,3)(6,7)/rA:17nCCCCCCCCCNCCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11NS |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.7654 |
Area: | 398.092 |
Solvation: | -1.18689 |
Coulombic: | -9.49851 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 237.321 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.74 |
LogP (Chemaxon): | 4.78 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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