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Chemical ID: 7052103
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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