Molecule

ID:55725

General Information

Structure

MolImage

Molecular Formula

C₄H₁₀ClNO

Molecular Mass

123.5813

Exact Mass

123.04509163

Charge

0

InChI

InChI=1S/C4H9NO.ClH/c1-4(6)3-5-2;/h5H,3H2,1-2H3;1H

InChIKey

NLUDZQQYUFGUEC-UHFFFAOYSA-N

Canonic Smiles

CNCC(=O)C.Cl

Isomeric Smiles

O=C(CNC)C.Cl

Calculated Properties

JChem

Acid pKa

17.31615

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-3.2376487

LogD (pH = 7.4)

-1.5885986

Log P

-0.38526964

Molar Refractivity

24.3291

Polarizability

9.696614

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