Chemical ID: 5337383

c1ccc2c(c1)c(=O)n(s2)c3nccs3
Chemical ID:
5337383
Name [?]:
8-thiazol-2-yl-9-thia-8-azabicyclo[4.3.0]nona-2,4,10-trien-7-one
SMILES [?]:
c1ccc2c(c1)c(=O)n(s2)c3nccs3
InChi [?]:
InChI=1/C10H6N2OS2/c13-9-7-3-1-2-4-8(7)15-12(9)10-11-5-6-14-10/h1-6H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,13,14,5,4,7,11,12,9,8,15,10/rA:15nCCCCCCCONSCNCCS/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;s9;d11;s12;d13;s11s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H6N2OS2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.47613
Area:381.854
Solvation:-2.07023
Coulombic:-21.6133
Bond Count [?]
All:17
Single:11
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:234.3
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.95
LogP (Chemaxon):2.78

Name Annotations

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Descriptor Annotations

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