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2-(4-isothiocyanatophenyl)-3-phenylinden-1-one

2-(4-isothiocyanatophenyl)-3-phenylinden-1-one structure

CAS No:
17539-24-1
Formula:
C22H13NOS
Chemical Name:
2-(4-isothiocyanatophenyl)-3-phenylinden-1-one
Synonyms:
2-4-isothiocyanophenyl-3-phenylindone;2-4-Isothiocyanophenyl-3-phenylindone;17539-24-1;1H-Inden-1-one, 2-(4-isothiocyanatophenyl)-3-phenyl-;DTXSID90169978;2-p-isothiocyanophenyl-3-phenylindenone

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2-(4-isothiocyanatophenyl)-3-phenylinden-1-one Basic Attributes

Molecular Weight：

339.4 g/mol

Exact Mass：

339.07178521 g/mol

DSSTox ID：

DTXSID90169978

Characteristics

PSA：

61.5 Å²

Drug Information

MeSH Entry Terms：

2-4-isothiocyanophenyl-3-phenylindone

Computed Properties

Molecular Weight:339.4
XLogP3:6.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:339.07178521
Monoisotopic Mass:339.07178521
Topological Polar Surface Area:61.5
Heavy Atom Count:25
Complexity:589
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(4-isothiocyanatophenyl)-3-phenylinden-1-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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