Chemical ID: 6502264

c1ccc2c(c1)nc3c(n2)SC4=NC(=O)CC(=O)N34
Chemical ID:
6502264
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nc3c(n2)SC4=NC(=O)CC(=O)N34
InChi [?]:
InChI=1/C12H6N4O2S/c17-8-5-9(18)16-10-11(19-12(16)15-8)14-7-4-2-1-3-6(7)13-10/h1-4H,5H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,16,5,4,14,17,8,9,12,7,10,13,19,15,18,11/rA:19nCCCCCCNCCNSCNCOCCON/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;d12;s13;d14;s14;s16;d17;s8s12s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H6N4O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.18289
Area:413.543
Solvation:-3.15568
Coulombic:-40.6044
Bond Count [?]
All:22
Single:14
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:270.268
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.72
LogP (Chemaxon):2.31

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue