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Mieshuan

Mieshuan structure

CAS No:
51594-83-3
Formula:
C13H11N3O4
Chemical Name:
Mieshuan
Synonyms:
Carbamic acid,N-(4-nitrophenyl)-,3-pyridinylmethyl ester;Carbamic acid,(4-nitrophenyl)-,3-pyridinylmethyl ester;RH 945;Mieshuan

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Mieshuan Basic Attributes

Molecular Weight：

273.24400

Exact Mass：

273.24

UNII：

T4H0N048IV

DSSTox ID：

DTXSID8058114

HScode：

2933399090

Characteristics

PSA：

97.04000

XLogP3：

3.33470

Density：

1.403g/cm3

Boiling Point：

429.4ºC at 760 mmHg

Flash Point：

213.5ºC

Refractive Index：

1.654

Drug Information

MeSH Entry Terms：

1-(3'-pyridylmethyl)-3-(4'-nitrophenyl)urea

Computed Properties

Molecular Weight:273.24
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:273.07495584
Monoisotopic Mass:273.07495584
Topological Polar Surface Area:97
Heavy Atom Count:20
Complexity:337
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Mieshuan

Basic Attributes
Characteristics
Drug Information
Computed Properties

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