General Information of the Compound
| Compound ID |
CP0528193
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| Compound Name |
4-[2-(2-phenylethyl)phenyl]-2H-triazole
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| Structure |
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| Formula |
C16H15N3
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| Molecular Weight |
249.317
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| Canonical SMILES |
C(Cc1ccccc1-c1c[nH]nn1)c1ccccc1
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| InChI |
InChI=1S/C16H15N3/c1-2-6-13(7-3-1)10-11-14-8-4-5-9-15(14)16-12-17-19-18-16/h1-9,12H,10-11H2,(H,17,18,19)
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| InChIKey |
MBDXJWMLJSOEGR-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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