Chemical ID: 7052103

c1ccc(c(c1)c2nnc3n2cccc3)Cl
Chemical ID:
7052103
Name [?]:
7-(2-chlorophenyl)-6,8,9-triazabicyclo[4.3.0]nona-2,4,7,9-tetraene
SMILES [?]:
c1ccc(c(c1)c2nnc3n2cccc3)Cl
InChi [?]:
InChI=1/C12H8ClN3/c13-10-6-2-1-5-9(10)12-15-14-11-7-3-4-8-16(11)12/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,14,13,6,3,15,12,5,4,10,7,16,9,8,11/rA:16nCCCCCCCNNCNCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s11;d12;s13;s10d14;s4;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8ClN3
All Atoms:24
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.92673
Area:383.159
Solvation:-1.65225
Coulombic:-13.0057
Bond Count [?]
All:18
Single:11
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:229.665
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.34
LogP (Chemaxon):2.83

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Descriptor Annotations

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