Chemical ID: 4088837

CCOC(=O)c1c(nc2n1cc(cc2)Cl)C
Chemical ID:
4088837
Name [?]:
ethyl 4-chloro-8-methyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraene-7-carboxylate
SMILES [?]:
CCOC(=O)c1c(nc2n1cc(cc2)Cl)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H11ClN2O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.72566
Area:407.426
Solvation:-1.46
Coulombic:-32.5145
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:238.67
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.14
LogP (Chemaxon):1.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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