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Chemical ID: 4607814
Chemical ID:
4607814
Name [?]:
2-(2-pyridyl)benzothiazole
SMILES [?]:
c1ccc2c(c1)nc(s2)c3ccccn3
InChi [?]:
InChI=1/C12H8N2S/c1-2-7-11-9(5-1)14-12(15-11)10-6-3-4-8-13-10/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,12,13,6,11,3,14,5,10,4,8,15,7,9/rA:15nCCCCCCNCSCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H8N2S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.76481 |
Area: | 379.284 |
Solvation: | -1.71728 |
Coulombic: | -13.0111 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 212.271 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.3 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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