Chemical ID: 7284763

c1ccc2c(c1)nc(s2)C=Cc3ccccn3
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

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Descriptor Annotations

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