Chemical ID: 4520493

CCn1c-2nc(=O)n(c(=O)c2nc(n1)c3ccc(cc3)Cl)C
Chemical ID:
4520493
Name [?]:
8-(4-chlorophenyl)-10-ethyl-4-methyl-2,4,7,9,10-pentazabicyclo[4.4.0]deca-1,6,8-triene-3,5-dione
SMILES [?]:
CCn1c-2nc(=O)n(c(=O)c2nc(n1)c3ccc(cc3)Cl)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H12ClN5O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.2988
Area:497.675
Solvation:-2.1431
Coulombic:-48.5238
Bond Count [?]
All:24
Single:16
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:317.73
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.67
LogP (Chemaxon):2.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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