Chemical ID: 4731977

CCOC(=O)c1cn2c(n1)ccc(n2)Cl
Chemical ID:
4731977
Name [?]:
ethyl 3-chloro-1,2,7-triazabicyclo[4.3.0]nona-2,4,6,8-tetraene-8-carboxylate
SMILES [?]:
CCOC(=O)c1cn2c(n1)ccc(n2)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C9H8ClN3O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.86826
Area:401.998
Solvation:-2.18167
Coulombic:-31.5331
Bond Count [?]
All:16
Single:11
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:225.632
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.38
LogP (Chemaxon):2.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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