Chemical ID: 5169899

c1cn2c(cn1)cnc2Cl
Chemical ID:
5169899
Name [?]:
9-chloro-1,4,8-triazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
c1cn2c(cn1)cnc2Cl
InChi [?]:
InChI=1/C6H4ClN3/c7-6-9-4-5-3-8-1-2-10(5)6/h1-4H
InChi Info:
AuxInfo=1/0/N:1,2,5,7,4,9,10,6,8,3/rA:10nCCNCCNCNCCl/rB:d1;s2;s3;s4;s1d5;d4;s7;s3d8;s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H4ClN3
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.53743
Area:290.619
Solvation:-1.72804
Coulombic:-16.5404
Bond Count [?]
All:11
Single:7
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:153.569
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:0.45
LogP (Chemaxon):0.71

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