General Information of the Compound
| Compound ID |
CP0146189
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| Compound Name |
(Z)-2-(2-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
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| Structure |
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| Formula |
C17H15ClN2
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| Molecular Weight |
282.774
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| Canonical SMILES |
CN(C)c1ccc(\C=C(/C#N)c2ccccc2Cl)cc1
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| InChI |
InChI=1S/C17H15ClN2/c1-20(2)15-9-7-13(8-10-15)11-14(12-19)16-5-3-4-6-17(16)18/h3-11H,1-2H3/b14-11+
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| InChIKey |
XOQICXJZZWXQDG-SDNWHVSQSA-N
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| CAS |
7496-17-5
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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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