Chemical ID: 4607814

c1ccc2c(c1)nc(s2)c3ccccn3
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

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Descriptor Annotations

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