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Secocubane-ccip

Secocubane-ccip structure

CAS No:
130602-28-7
Formula:
C13H14Cl2N2O
Chemical Name:
Secocubane-ccip

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Secocubane-ccip Basic Attributes

Molecular Weight：

285.16900

Exact Mass：

284.0483185 g/mol

Characteristics

PSA：

56.38000

XLogP3：

2.58168

Density：

1.46g/cm3

Boiling Point：

508ºC at 760mmHg

Flash Point：

261ºC

Refractive Index：

1.607

Vapor Pressure：

1.94E-10mmHg at 25°C

Drug Information

MeSH Entry Terms：

4,7-dichloro-1-cyano-N-isopropyltetracyclo(4.2.0.0.(2,5).0(3,8))octane-4-carboxamide

Computed Properties

Molecular Weight:285.17
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:284.0483185
Monoisotopic Mass:284.0483185
Topological Polar Surface Area:52.9
Heavy Atom Count:18
Complexity:502
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Secocubane-ccip

Basic Attributes
Characteristics
Drug Information
Computed Properties

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