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Chemical ID: 7115633
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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