Chemical ID: 6638432

CSc1nc2c(cc[nH]2)c(n1)O
Chemical ID:
6638432
Name [?]:
3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-ol
SMILES [?]:
CSc1nc2c(cc[nH]2)c(n1)O
InChi [?]:
InChI=1/C7H7N3OS/c1-12-7-9-5-4(2-3-8-5)6(11)10-7/h2-3H,1H3,(H2,8,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,7,8,6,5,10,3,9,4,11,12,2/rA:12nCSCNCCCCNCNO/rB:s1;s2;s3;d4;s5;s6;d7;s5s8;d6;d3s10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H7N3OS
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.40234
Area:330.867
Solvation:-1.86933
Coulombic:-39.9325
Bond Count [?]
All:13
Single:9
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:181.216
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.76
LogP (Chemaxon):2.49

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Descriptor Annotations

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