Chemical ID: 4093318

CCOc1ccc(cc1)C2=CC(n3c(ncn3)N2)c4ccccc4
Chemical ID:
4093318
Name [?]:
4-(4-ethoxyphenyl)-2-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,6,8-triene
SMILES [?]:
CCOc1ccc(cc1)C2=CC(n3c(ncn3)N2)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H18N4O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:9.62942
Area:527.586
Solvation:-3.56023
Coulombic:-32.6619
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:318.373
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.35
LogP (Chemaxon):3.13

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue