Chemical ID: 7121696

Cc1cccn2c1[nH+]c(c2)c3ccc(cc3)F
Chemical ID:
7121696
Name [?]:
8-(4-fluorophenyl)-5-methyl-1-aza-7-azoniabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
Cc1cccn2c1[nH+]c(c2)c3ccc(cc3)F
InChi [?]:
InChI=1/C14H11FN2/c1-10-3-2-8-17-9-13(16-14(10)17)11-4-6-12(15)7-5-11/h2-9H,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,4,3,12,16,13,15,5,10,2,11,14,9,7,17,8,6/E:(4,5)(6,7)/rA:17nCCCCCNCN+CCCCCCCCF/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;s6d9;s9;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12FN2+
All Atoms:29
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-22.3655
Area:392.247
Solvation:-32.1717
Coulombic:-5.53709
Bond Count [?]
All:19
Single:12
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:227.257
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.4
LogP (Chemaxon):4.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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