Chemical ID: 5772266

CNc1nc2c(s1)c(cc(=O)[nH]2)O
Chemical ID:
5772266
Name [?]:
5-hydroxy-8-methylamino-7-thia-2,9-diazabicyclo[4.3.0]nona-4,8,10-trien-3-one
SMILES [?]:
CNc1nc2c(s1)c(cc(=O)[nH]2)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:1,9,8,10,6,5,3,2,12,4,13,11,7/rA:13nCNCNCCSCCCONO/rB:s1;s2;d3;s4;d5;s3s6;s6;d8;s9;d10;s5s10;s8;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H7N3O2S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.91851
Area:346.772
Solvation:-2.75078
Coulombic:-53.1094
Bond Count [?]
All:14
Single:10
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:197.215
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:-0.55
LogP (Chemaxon):1.29

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Descriptor Annotations

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