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Reference, SMILES, CAS, Chemical name...

Amb19885927

Duplicate ID
SmilesCOCC(=O)N1C[C@H](COCC1)Oc1c[n]cc[n]1
InchiKeyLBSWGAWGWJPZFD-SNVBAGLBSA-N
InChi InChI=1S/C12H17N3O4/c1-17-9-12(16)15-4-5-18-8-10(7-15)19-11-6-13-2-3-14-11/h2-3,6,10H,4-5,7-9H2,1H3/t10-/m1/s1
Formula C12H17N3O4
Molecular weight 267.281
Rings 2
logP -0.3329
PSA 73.78
MR 69.24
Resynthesis
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