probe 8-O

AlkaPlorer ID: AK016038

Synonym: None

IUPAC Name: None

Structure

SMILES: O(C1=CC2=C(C=C1OC)C1=C/C3=CC=C(OC)C(OC)=C3/C=[N+]\1CC2)CCC1(CCC#C)N=N1.[Cl-]

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InChI: InChI=1S/C27H28N3O4.ClH/c1-5-6-10-27(28-29-27)11-13-34-25-15-19-9-12-30-17-21-18(7-8-23(31-2)26(21)33-4)14-22(30)20(19)16-24(25)32-3;/h1,7-8,14-17H,6,9-13H2,2-4H3;1H/q+1;/p-1

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InChIKey: LGYQEZNXNPIMFL-UHFFFAOYSA-M

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Properties Information

Molecule Weight: 493.9910000000003

TPSA: 65.52000000000001

MolLogP: 1.7245999999999995

Number of H-Donors: 0

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information