Chemical ID: 5078956

c1ccc2c(c1)Nc3c(nc4c(n3)non4)S2
Chemical ID:
5078956
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)Nc3c(nc4c(n3)non4)S2
InChi [?]:
InChI=1/C10H5N5OS/c1-2-4-6-5(3-1)11-9-10(17-6)13-8-7(12-9)14-16-15-8/h1-4H,(H,11,12,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,12,11,8,9,7,13,10,14,16,15,17/rA:17nCCCCCCNCCNCCNNONS/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;s11;d8s12;d12;s14;d11s15;s4s9;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H5N5OS
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.43382
Area:382.799
Solvation:-1.13616
Coulombic:-30.2778
Bond Count [?]
All:20
Single:13
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:243.246
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.52
LogP (Chemaxon):3.09

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Descriptor Annotations

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