Chemical ID: 7598993

CC1C2C(C(=O)N2C(=C1SC3Cn4cnc[n+]4C3)C(=O)O)C(C)O
Chemical ID:
7598993
Name [?]:
3-(1,3-diaza-5-azoniabicyclo[3.3.0]octa-2,4-dien-7-ylsulfanyl)-7-(1-hydroxyethyl)-2-methyl-6-oxo-5-azabicyclo[3.2.0]hept-3-ene-4-carboxylic acid
SMILES [?]:
CC1C2C(C(=O)N2C(=C1SC3Cn4cnc[n+]4C3)C(=O)O)C(C)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H19N4O4S+
All Atoms:43
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:-22.1368
Area:518.952
Solvation:-35.1106
Coulombic:-37.0373
Bond Count [?]
All:27
Single:22
Double:5
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:-1.94
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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