Chemical ID: 5498334

Cc1c(cnn1CCC(=O)NC2C3N(C2=O)C(=C(CS3)C)C(=O)O)[N+](=O)[O-]
Chemical ID:
5498334
Name [?]:
4-methyl-8-[3-(5-methyl-4-nitro-pyrazol-1-yl)propanoylamino]-7-oxo-2-thia-6-azabicyclo[4.2.0]oct-4-ene-5-carboxylic acid
SMILES [?]:
Cc1c(cnn1CCC(=O)NC2C3N(C2=O)C(=C(CS3)C)C(=O)O)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H17N5O6S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:4.8305
Area:591.877
Solvation:-9.96642
Coulombic:-80.5921
Bond Count [?]
All:29
Single:22
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:395.392
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:0.05
LogP (Chemaxon):-0.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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