Chemical ID: 4724387

Cc1c2c(n3c(n1)c(cn3)C#N)SCC2
Chemical ID:
4724387
Name [?]:
None
SMILES [?]:
Cc1c2c(n3c(n1)c(cn3)C#N)SCC2
InChi [?]:
InChI=1/C10H8N4S/c1-6-8-2-3-15-10(8)14-9(13-6)7(4-11)5-12-14/h5H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,11,9,2,8,3,6,4,12,10,7,5,13/rA:15nCCCCNCNCCNCNSCC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s8;t11;s4;s13;s3s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8N4S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.1322
Area:376.629
Solvation:-2.28353
Coulombic:-12.6727
Bond Count [?]
All:17
Single:12
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:216.263
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.55
LogP (Chemaxon):1.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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