Chemical ID: 4866114

CCOc1ccc(cc1)C2C=C(Nc3n2nnn3)c4ccccc4
Chemical ID:
4866114
Name [?]:
5-(4-ethoxyphenyl)-3-phenyl-2,6,7,8,9-pentazabicyclo[4.3.0]nona-3,7,9-triene
SMILES [?]:
CCOc1ccc(cc1)C2C=C(Nc3n2nnn3)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H17N5O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:10.1834
Area:527.185
Solvation:-2.99626
Coulombic:-27.9395
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:319.361
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.63
LogP (Chemaxon):2.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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