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61019-05-4 molecular structure
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5-methoxy-7-methyl-1H-indole

ChemBase ID: 286882
Molecular Formular: C10H11NO
Molecular Mass: 161.20044
Monoisotopic Mass: 161.08406398
SMILES and InChIs

SMILES:
COc1cc2c([nH]cc2)c(C)c1
Canonical SMILES:
COc1cc(C)c2c(c1)cc[nH]2
InChI:
InChI=1S/C10H11NO/c1-7-5-9(12-2)6-8-3-4-11-10(7)8/h3-6,11H,1-2H3
InChIKey:
YGPVRHHGKCQSIL-UHFFFAOYSA-N

Cite this record

CBID:286882 http://www.chembase.cn/molecule-286882.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methoxy-7-methyl-1H-indole
IUPAC Traditional name
5-methoxy-7-methyl-1H-indole
Synonyms
5-Methoxy-7-methyl-1H-indole
CAS Number
61019-05-4
PubChem SID
180672413
PubChem CID
12338917

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD104527 Please log in.
Data Source Data ID
PubChem 12338917 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.13018  H Acceptors
H Donor LogD (pH = 5.5) 2.427758 
LogD (pH = 7.4) 2.427758  Log P 2.427758 
Molar Refractivity 48.6489 cm3 Polarizability 19.864447 Å3
Polar Surface Area 25.02 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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