Chemical ID: 4749102

Cc1csc2c1n3c(c(nn3)C#N)[nH]c2=O
Chemical ID:
4749102
Name [?]:
None
SMILES [?]:
Cc1csc2c1n3c(c(nn3)C#N)[nH]c2=O
InChi [?]:
InChI=1/C9H5N5OS/c1-4-3-16-7-6(4)14-8(11-9(7)15)5(2-10)12-13-14/h3H,1H3,(H,11,15)
InChi Info:
AuxInfo=1/1/N:1,12,3,2,9,6,5,8,15,13,14,10,11,7,16,4/rA:16nCCCSCCNCCNNCNNCO/rB:s1;d2;s3;s4;s2d5;s6;s7;d8;s9;s7d10;s9;t12;s8;s5s14;d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H5N5OS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.32794
Area:380.338
Solvation:-2.1805
Coulombic:-29.3148
Bond Count [?]
All:18
Single:12
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:231.235
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.14
LogP (Chemaxon):1.98

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Descriptor Annotations

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