3-[(4-hydroxy-3-nitrophenyl)methyl]-octahydropyrrolo[1,2-a]pyrazine-1,4-dione
AlkaPlorer ID: AK325243
Synonym: None
IUPAC Name: None
Structure
SMILES: O=C1[C@@H](CC2=CC=C(O)C([N+](=O)[O-])=C2)N=C(O)[C@@H]2CCCN12
InChI: InChI=1S/C14H15N3O5/c18-12-4-3-8(7-11(12)17(21)22)6-9-14(20)16-5-1-2-10(16)13(19)15-9/h3-4,7,9-10,18H,1-2,5-6H2,(H,15,19)/t9-,10+/m1/s1
InChIKey: ITINUQXUQFAVER-ZJUUUORDSA-N
Reference
NPASS: NPC67932
Source
Properties Information
Molecule Weight: 305.29000000000013
TPSA?: 116.27
MolLogP?: 1.1726
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3
Activities Information
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