MLW

4-chloranyl-5~{H}-cyclohepta[b]indol-10-one

Created:	2019-10-18
Last modified:	2019-12-04

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1 entries where MLW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	10

2D diagram of MLW

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Chemical Component Summary
Name	4-chloranyl-5~{H}-cyclohepta[b]indol-10-one
Systematic Name (OpenEye OEToolkits)	4-chloranyl-5~{H}-cyclohepta[b]indol-10-one
Formula	C₁₃ H₈ Cl N O
Molecular Weight	229.662
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Clc1cccc2c1[nH]c3C=CC=CC(=O)c23
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c3c([nH]c2c(c1)Cl)C=CC=CC3=O
Canonical SMILES	CACTVS	3.385	Clc1cccc2c1[nH]c3C=CC=CC(=O)c23
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c3c([nH]c2c(c1)Cl)C=CC=CC3=O
InChI	InChI	1.03	InChI=1S/C13H8ClNO/c14-9-5-3-4-8-12-10(15-13(8)9)6-1-2-7-11(12)16/h1-7,15H
InChIKey	InChI	1.03	BBOUTVQTMMUARP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	145704692

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