7-Chloro-6-methyl-11-oxo-10H-dibenz[b,f][1,4]oxazepine-9-carboxylic acid; 2-Chloro, Me ester 

AlkaPlorer ID: AK025403

Synonym: Mycemycin C

IUPAC Name: methyl 2,8-dichloro-1-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepine-4-carboxylate

Structure

SMILES: COC(=O)C1=CC(Cl)=C(C)C2=C1N=C(O)C1=CC(Cl)=CC=C1O2

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InChI: InChI=1S/C16H11Cl2NO4/c1-7-11(18)6-10(16(21)22-2)13-14(7)23-12-4-3-8(17)5-9(12)15(20)19-13/h3-6H,1-2H3,(H,19,20)

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InChIKey: HUIPLTJKSZEWPF-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 352.17300000000006

TPSA: 68.12

MolLogP: 4.830420000000003

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