Chemical ID: 6683470

c1ccn2ccnc2c1
Chemical ID:
6683470
Name [?]:
1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
c1ccn2ccnc2c1
InChi [?]:
InChI=1/C7H6N2/c1-2-5-9-6-4-8-7(9)3-1/h1-6H
InChi Info:
AuxInfo=1/0/N:1,2,9,6,3,5,8,7,4/rA:9nCCCNCCNCC/rB:s1;d2;s3;s4;d5;s6;s4d7;d1s8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6N2
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:4.89618
Area:258.314
Solvation:-1.56166
Coulombic:-10.4648
Bond Count [?]
All:10
Single:6
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:118.136
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:0.68
LogP (Chemaxon):1.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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