Chemical ID: 5177425

CSc1nc2[nH]cnn2c(=O)n1
Chemical ID:
5177425
Name [?]:
3-methylsulfanyl-2,4,6,7,9-pentazabicyclo[4.3.0]nona-1,3,7-trien-5-one
SMILES [?]:
CSc1nc2[nH]cnn2c(=O)n1
InChi [?]:
InChI=1/C5H5N5OS/c1-12-4-8-3-6-2-7-10(3)5(11)9-4/h2H,1H3,(H,6,7,8,9,11)
InChi Info:
AuxInfo=1/1/N:1,7,5,3,10,6,8,4,12,9,11,2/rA:12nCSCNCNCNNCON/rB:s1;s2;s3;d4;s5;s6;d7;s5s8;s9;d10;d3s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H5N5OS
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.41002
Area:325.186
Solvation:-1.71962
Coulombic:-41.9305
Bond Count [?]
All:13
Single:9
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:183.192
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.29
LogP (Chemaxon):0.92

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Descriptor Annotations

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