Chemical ID: 6703135

c1cc(cc(c1)NCc2cn3cccnc3[nH+]2)C(F)(F)F
Chemical ID:
6703135
Name [?]:
N-(1,5-diaza-7-azoniabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-ylmethyl)-3-(trifluoromethyl)aniline
SMILES [?]:
c1cc(cc(c1)NCc2cn3cccnc3[nH+]2)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H12F3N4+
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-21.5266
Area:458.807
Solvation:-32.9968
Coulombic:-38.3544
Bond Count [?]
All:23
Single:16
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:293.267
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.02
LogP (Chemaxon):2.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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