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Chemical ID: 7284763
Chemical ID:
7284763
Name [?]:
2-[2-(2-pyridyl)vinyl]benzothiazole
SMILES [?]:
c1ccc2c(c1)nc(s2)C=Cc3ccccn3
InChi [?]:
InChI=1/C14H10N2S/c1-2-7-13-12(6-1)16-14(17-13)9-8-11-5-3-4-10-15-11/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,14,15,13,6,3,11,10,16,12,5,4,8,17,7,9/rA:17nCCCCCCNCSCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;w10;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10N2S |
All Atoms: | 27 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.04626 |
Area: | 429.566 |
Solvation: | -1.69288 |
Coulombic: | -13.0203 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 238.309 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.58 |
LogP (Chemaxon): | 3.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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