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164280465 molecular structure
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(3Z)-6-chloro-3-[(3,4-dihydroxyphenyl)methylidene]-2,3-dihydro-1H-indol-2-one

ChemBase ID: 224555
Molecular Formular: C15H10ClNO3
Molecular Mass: 287.6978
Monoisotopic Mass: 287.03492087
SMILES and InChIs

SMILES:
C\1(=C/c2cc(c(cc2)O)O)/C(=O)Nc2c1ccc(c2)Cl
Canonical SMILES:
Clc1ccc2c(c1)NC(=O)/C/2=C\c1ccc(c(c1)O)O
InChI:
InChI=1S/C15H10ClNO3/c16-9-2-3-10-11(15(20)17-12(10)7-9)5-8-1-4-13(18)14(19)6-8/h1-7,18-19H,(H,17,20)/b11-5-
InChIKey:
VOEFCBNEKOUUPE-WZUFQYTHSA-N

Cite this record

CBID:224555 http://www.chembase.cn/molecule-224555.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3Z)-6-chloro-3-[(3,4-dihydroxyphenyl)methylidene]-2,3-dihydro-1H-indol-2-one
IUPAC Traditional name
(3Z)-6-chloro-3-[(3,4-dihydroxyphenyl)methylidene]-1H-indol-2-one
PubChem SID
164280465
PubChem CID
52905083

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 52905083 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.175433  H Acceptors
H Donor LogD (pH = 5.5) 3.262053 
LogD (pH = 7.4) 3.2549713  Log P 3.262144 
Molar Refractivity 78.4979 cm3 Polarizability 28.905464 Å3
Polar Surface Area 69.56 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Description
Isomers expand Show data source
Classification
Derivatives & analogs of Natural Compounds expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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