Chemical ID: 5715554

COc1cccc(c1)C2=CC(N3C(=N2)NN=N3)c4ccccc4
Chemical ID:
5715554
Name [?]:
4-(3-methoxyphenyl)-2-phenyl-1,5,7,8,9-pentazabicyclo[4.3.0]nona-3,5,8-triene
SMILES [?]:
COc1cccc(c1)C2=CC(N3C(=N2)NN=N3)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H15N5O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:8.96871
Area:499.447
Solvation:-3.51747
Coulombic:-26.7544
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:305.334
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.29
LogP (Chemaxon):4.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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