Chemical ID: 6886585

CC(C(=O)C)n1cnc2c(c1=O)c(cs2)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
6886585
Name [?]:
4-(1-methyl-2-oxo-propyl)-7-(3-nitrophenyl)-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one
SMILES [?]:
CC(C(=O)C)n1cnc2c(c1=O)c(cs2)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H13N3O4S
All Atoms:37
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:4.682
Area:521.309
Solvation:-8.35073
Coulombic:-40.9081
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:343.358
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.99
LogP (Chemaxon):3.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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