General Information of the Compound
| Compound ID |
CP0774428
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| Compound Name |
3-(2-oxopropylidene)-1-(prop-2-ynyl)indolin-2-one
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| Structure |
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| Formula |
C14H11NO2
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| Molecular Weight |
225.247
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| Canonical SMILES |
C#CCN1C(=O)/C(=C/C(C)=O)c2ccccc21
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| InChI |
InChI=1S/C14H11NO2/c1-3-8-15-13-7-5-4-6-11(13)12(14(15)17)9-10(2)16/h1,4-7,9H,8H2,2H3/b12-9+
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| InChIKey |
HYUGHPDIXXDVLK-FMIVXFBMSA-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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