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885272-61-7 molecular structure
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5-(1-benzofuran-2-yl)-1H-indazole

ChemBase ID: 813017
Molecular Formular: C15H10N2O
Molecular Mass: 234.2527
Monoisotopic Mass: 234.07931295
SMILES and InChIs

SMILES:
c1n[nH]c2ccc(cc12)c1oc2c(c1)cccc2
Canonical SMILES:
c1ccc2c(c1)oc(c2)c1ccc2c(c1)cn[nH]2
InChI:
InChI=1S/C15H10N2O/c1-2-4-14-10(3-1)8-15(18-14)11-5-6-13-12(7-11)9-16-17-13/h1-9H,(H,16,17)
InChIKey:
SEOACZWIEFXVRE-UHFFFAOYSA-N

Cite this record

CBID:813017 http://www.chembase.cn/molecule-813017.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(1-benzofuran-2-yl)-1H-indazole
IUPAC Traditional name
5-(1-benzofuran-2-yl)-1H-indazole
Synonyms
5-BENZOFURAN-2-YL-1H-INDAZOLE
CAS Number
885272-61-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O33830 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O33830 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.557148  H Acceptors
H Donor LogD (pH = 5.5) 3.0226383 
LogD (pH = 7.4) 3.0226278  Log P 3.0226576 
Molar Refractivity 69.9279 cm3 Polarizability 30.186075 Å3
Polar Surface Area 41.82 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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