longibrachiatizoline

AlkaPlorer ID: AK016073

Synonym: None

IUPAC Name: None

Structure

SMILES: C1=CC=C2C(=C1)CN1C3=CC=CC=C3[C@H]3NC4=CC=CC=C4[C@@H]1N23

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InChI: InChI=1S/C21H17N3/c1-5-11-18-14(7-1)13-23-19-12-6-3-9-16(19)20-22-17-10-4-2-8-15(17)21(23)24(18)20/h1-12,20-22H,13H2/t20-,21-/m0/s1

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InChIKey: NJLLJNNNYUNDSX-SFTDATJTSA-N

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Source

Properties Information

Molecule Weight: 311.3880000000001

TPSA: 18.509999999999998

MolLogP: 4.649700000000004

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information