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2-[[5-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid

2-[[5-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid structure

CAS No:
116989-80-1
Formula:
C25H17ClN6O2S
Chemical Name:
2-[[5-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid

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2-[[5-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Basic Attributes

Molecular Weight：

500.95900

Exact Mass：

500.0822227

DSSTox ID：

DTXSID40151646

Characteristics

PSA：

124.02000

XLogP3：

5.19680

Density：

1.55g/cm3

Boiling Point：

760.5ºC at 760mmHg

Flash Point：

413.8ºC

Refractive Index：

1.791

Vapor Pressure：

2.58E-24mmHg at 25°C

Computed Properties

Molecular Weight:501.0
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:500.0822227
Monoisotopic Mass:500.0822227
Topological Polar Surface Area:124
Heavy Atom Count:35
Complexity:760
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[5-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Basic Attributes
Characteristics
Computed Properties
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