Chemical ID: 5397989

c1cc(ccc1C(=O)O)NC(=O)CC2C(=O)N3CCN=C3S2
Chemical ID:
5397989
Name [?]:
4-[2-(8-oxo-6-thia-1,4-diazabicyclo[3.3.0]oct-4-en-7-yl)acetyl]aminobenzoic acid
SMILES [?]:
c1cc(ccc1C(=O)O)NC(=O)CC2C(=O)N3CCN=C3S2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H13N3O4S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.19025
Area:504.616
Solvation:-4.42515
Coulombic:-67.4487
Bond Count [?]
All:24
Single:17
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:319.337
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:-0.19
LogP (Chemaxon):0.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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