Chemical ID: 4691923

CSc1nc2ccccn2c(=O)n1
Chemical ID:
4691923
Name [?]:
9-methylsulfanyl-6,8,10-triazabicyclo[4.4.0]deca-2,4,8,10-tetraen-7-one
SMILES [?]:
CSc1nc2ccccn2c(=O)n1
InChi [?]:
InChI=1/C8H7N3OS/c1-13-7-9-6-4-2-3-5-11(6)8(12)10-7/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,6,9,5,3,11,4,13,10,12,2/rA:13nCSCNCCCCCNCON/rB:s1;s2;s3;d4;s5;d6;s7;d8;s5s9;s10;d11;d3s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7N3OS
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.40712
Area:342.583
Solvation:-1.15745
Coulombic:-31.9226
Bond Count [?]
All:14
Single:9
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:193.227
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:-0.05
LogP (Chemaxon):2.32

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Descriptor Annotations

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