Chemical ID: 7116293

c1cn2c(n1)SCC(C2)O
Chemical ID:
7116293
Name [?]:
5-thia-1,7-diazabicyclo[4.3.0]nona-6,8-dien-3-ol
SMILES [?]:
c1cn2c(n1)SCC(C2)O
InChi [?]:
InChI=1/C6H8N2OS/c9-5-3-8-2-1-7-6(8)10-4-5/h1-2,5,9H,3-4H2
InChi Info:
AuxInfo=1/0/N:1,2,9,7,8,4,5,3,10,6/rA:10cCCNCNSCCCO/rB:d1;s2;s3;s1d4;s4;s6;s7;s3s8;s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H8N2OS
All Atoms:18
Heavy Atoms:10
Chiral Atoms:1
ZAP Information [?]
Total:4.95516
Area:292.524
Solvation:-2.35795
Coulombic:-28.4959
Bond Count [?]
All:11
Single:9
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:156.207
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:0.07
LogP (Chemaxon):0.76

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