Chemical ID: 4953145

c1cc2c(nc1)CCC2
Chemical ID:
4953145
Name [?]:
5-azabicyclo[4.3.0]nona-1,3,5-triene
SMILES [?]:
c1cc2c(nc1)CCC2
InChi [?]:
InChI=1/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h2,4,6H,1,3,5H2
InChi Info:
AuxInfo=1/0/N:8,1,9,2,7,6,3,4,5/rA:9nCCCCNCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s3s8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9N
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:5.52149
Area:265.412
Solvation:-1.11382
Coulombic:-4.90377
Bond Count [?]
All:10
Single:7
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:119.164
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.12
LogP (Chemaxon):1.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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