Chemical ID: 7115633

c1cc2c([nH]nc2Cl)nc1
Chemical ID:
7115633
Name [?]:
9-chloro-5,7,8-triazabicyclo[4.3.0]nona-1,3,5,8-tetraene
SMILES [?]:
c1cc2c([nH]nc2Cl)nc1
InChi [?]:
InChI=1/C6H4ClN3/c7-5-4-2-1-3-8-6(4)10-9-5/h1-3H,(H,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,10,3,7,4,8,9,6,5/rA:10nCCCCNNCClNC/rB:s1;d2;s3;s4;s5;s3d6;s7;d4;d1s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H4ClN3
All Atoms:14
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.93479
Area:292.696
Solvation:-1.3826
Coulombic:-16.6244
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:2.16
LogP (Chemaxon):1.78

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Descriptor Annotations

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