Chemical ID: 4372597

c1cc(ccc1c2c[n+](c3c([n+]2[O-])CCCCC3)[O-])Cl
Chemical ID:
4372597
Name [?]:
9-(4-chlorophenyl)-8,11-dioxido-8,11-diazoniabicyclo[5.4.0]undeca-8,10,12-triene
SMILES [?]:
c1cc(ccc1c2c[n+](c3c([n+]2[O-])CCCCC3)[O-])Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H15ClN2O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-2.86963
Area:456.066
Solvation:-14.2713
Coulombic:-29.041
Bond Count [?]
All:22
Single:16
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:290.745
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.49
LogP (Chemaxon):0.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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