Molecule

ID:57284

General Information

Structure

MolImage

Molecular Formula

C₇H₁₄ClNO

Molecular Mass

163.64516

Exact Mass

163.07639175

Charge

0

InChI

InChI=1S/C7H14ClNO/c1-5(8)6(10)9-7(2,3)4/h5H,1-4H3,(H,9,10)

InChIKey

CLONYWVXLVFSMM-UHFFFAOYSA-N

Canonic Smiles

O=C(C(Cl)C)NC(C)(C)C

Isomeric Smiles

C(=O)(NC(C)(C)C)C(Cl)C

Calculated Properties

JChem

Acid pKa

13.238411

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

1.3534554

LogD (pH = 7.4)

1.3534548

Log P

1.3534554

Molar Refractivity

42.4153

Polarizability

16.680826

Polar Surface Area

29.1

Rotatable Bonds

2

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity