Chemical ID: 5681294

c1cc(oc1)C2C=C(N=C3N2N=NN3)c4ccc(cc4)Cl
Chemical ID:
5681294
Name [?]:
3-(4-chlorophenyl)-5-(2-furyl)-2,6,7,8,9-pentazabicyclo[4.3.0]nona-1,3,7-triene
SMILES [?]:
c1cc(oc1)C2C=C(N=C3N2N=NN3)c4ccc(cc4)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H10ClN5O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:8.36913
Area:478.508
Solvation:-3.59358
Coulombic:-24.7867
Bond Count [?]
All:24
Single:16
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:299.715
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.69
LogP (Chemaxon):3.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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