11-Oxo-10H-dibenz[b,f][1,4]oxazepine-9-carboxylic acid; 2-Chloro, Me ester 

AlkaPlorer ID: AK034056

Synonym: Mycemycin B

IUPAC Name: methyl 8-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepine-4-carboxylate

Structure

SMILES: COC(=O)C1=CC=CC2=C1N=C(O)C1=CC(Cl)=CC=C1O2

copy

InChI: InChI=1S/C15H10ClNO4/c1-20-15(19)9-3-2-4-12-13(9)17-14(18)10-7-8(16)5-6-11(10)21-12/h2-7H,1H3,(H,17,18)

copy

InChIKey: HGYAROLWFFFLIE-UHFFFAOYSA-N

copy

Properties Information

Molecule Weight: 303.701

TPSA: 68.12

MolLogP: 3.8686000000000025

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information