Chemical ID: 4848001

COc1cccc(c1)C2=CC(n3c(nnn3)N2)c4ccccc4
Chemical ID:
4848001
Name [?]:
4-(3-methoxyphenyl)-2-phenyl-1,5,7,8,9-pentazabicyclo[4.3.0]nona-3,6,8-triene
SMILES [?]:
COc1cccc(c1)C2=CC(n3c(nnn3)N2)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H15N5O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.42062
Area:498.586
Solvation:-3.04403
Coulombic:-27.707
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:2
XLogP:3.2
LogP (Chemaxon):2.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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