Chemical ID: 7177985

CNc1nc2c(s1)c(cc(n2)O)O
Chemical ID:
7177985
Name [?]:
8-methylamino-7-thia-2,9-diazabicyclo[4.3.0]nona-1,3,5,8-tetraene-3,5-diol
SMILES [?]:
CNc1nc2c(s1)c(cc(n2)O)O
InChi [?]:
InChI=1/C7H7N3O2S/c1-8-7-10-6-5(13-7)3(11)2-4(12)9-6/h2H,1H3,(H3,8,9,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,9,8,10,6,5,3,2,11,4,13,12,7/rA:13nCNCNCCSCCCNOO/rB:s1;s2;d3;s4;s5;s3s6;d6;s8;d9;d5s10;s10;s8;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H7N3O2S
All Atoms:20
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.76744
Area:349.114
Solvation:-2.96041
Coulombic:-54.9253
Bond Count [?]
All:14
Single:10
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:197.215
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.97
LogP (Chemaxon):1.94

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Descriptor Annotations

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