General Information of the Compound
| Compound ID |
CP0214017
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| Compound Name |
CHEBI:86194
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| Structure |
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| Formula |
C11H15NO
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| Molecular Weight |
177.247
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| Canonical SMILES |
CCN(CC)c1ccc(C=O)cc1
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| InChI |
InChI=1S/C11H15NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-9H,3-4H2,1-2H3
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| InChIKey |
MNFZZNNFORDXSV-UHFFFAOYSA-N
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| CAS |
120-21-8
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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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