General Information of the Compound
| Compound ID |
CP0355662
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| Compound Name |
1-(3-chloro-4-fluorophenyl)-6-fluorobenzo[f]benzotriazole-4,9-dione
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| Structure |
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| Formula |
C16H6ClF2N3O2
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| Molecular Weight |
345.692
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| Canonical SMILES |
Fc1ccc2C(=O)c3c(nnn3-c3ccc(F)c(Cl)c3)C(=O)c2c1
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| InChI |
InChI=1S/C16H6ClF2N3O2/c17-11-6-8(2-4-12(11)19)22-14-13(20-21-22)15(23)10-5-7(18)1-3-9(10)16(14)24/h1-6H
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| InChIKey |
KGLAAILBKHAJFQ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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