Chemical ID: 5233092

CCOC(=O)CCc1nc(c(c2n1nnn2)C)C(=O)OCC
Chemical ID:
5233092
Name [?]:
ethyl 5-(2-ethoxycarbonylethyl)-2-methyl-4,6,7,8,9-pentazabicyclo[4.3.0]nona-2,4,7,9-tetraene-3-carboxylate
SMILES [?]:
CCOC(=O)CCc1nc(c(c2n1nnn2)C)C(=O)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H17N5O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.2359
Area:527.295
Solvation:-2.94648
Coulombic:-47.7084
Bond Count [?]
All:23
Single:17
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:307.305
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:-0.25
LogP (Chemaxon):1.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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