Chemical ID: 5576147

c1ccc2c(c1)CC2[NH3+]
Chemical ID:
5576147
Name [?]:
8-bicyclo[4.2.0]octa-2,4,9-trienylammonium
SMILES [?]:
c1ccc2c(c1)CC2[NH3+]
InChi [?]:
InChI=1/C8H9N/c9-8-5-6-3-1-2-4-7(6)8/h1-4,8H,5,9H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,5,4,8,9/rA:9cCCCCCCCCN+/rB:s1;d2;s3;d4;d1s5;s5;s4s7;s8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H10N+
All Atoms:9
Heavy Atoms:9
Chiral Atoms:1
ZAP Information [?]
Total:-31.8525
Area:271.248
Solvation:-38.6337
Coulombic:41.115
Bond Count [?]
All:10
Single:7
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:120.172
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.09
LogP (Chemaxon):1.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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