Chemical ID: 4119711

Cc1c(sc2c1c(nc(n2)SCC(=O)O)O)C
Chemical ID:
4119711
Name [?]:
2-[(5-hydroxy-7,8-dimethyl-9-thia-2,4-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-yl)sulfanyl]acetic acid
SMILES [?]:
Cc1c(sc2c1c(nc(n2)SCC(=O)O)O)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C10H10N2O3S2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.91274
Area:434.061
Solvation:-2.93877
Coulombic:-54.5457
Bond Count [?]
All:18
Single:13
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:270.33
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.86
LogP (Chemaxon):2.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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