Chemical ID: 6821525

c1c(c2c([nH]cn2)[nH+]c1Cl)N
Chemical ID:
6821525
Name [?]:
4-chloro-7,9-diaza-5-azoniabicyclo[4.3.0]nona-1,3,5,8-tetraen-2-amine
SMILES [?]:
c1c(c2c([nH]cn2)[nH+]c1Cl)N
InChi [?]:
InChI=1/C6H5ClN4/c7-4-1-3(8)5-6(11-4)10-2-9-5/h1-2H,(H3,8,9,10,11)/p+1
InChi Info:
AuxInfo=1/1/N:1,6,2,9,3,4,10,11,7,5,8/rA:11nCCCCNCNN+CClN/rB:s1;d2;s3;s4;s5;s3d6;d4;d1s8;s9;s2;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6ClN4+
All Atoms:17
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:-25.5439
Area:310.792
Solvation:-33.3137
Coulombic:-23.9413
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:169.592
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:0.69
LogP (Chemaxon):0.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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