Molecule

ID:129491

General Information

Structure

MolImage

Molecular Formula

C₄H₁₂NO₂P

Molecular Mass

137.117341

Exact Mass

137.06056526

Charge

0

InChI

InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)

InChIKey

NHVRIDDXGZPJTJ-UHFFFAOYSA-N

Canonic Smiles

NCCCP(=O)(O)C

Isomeric Smiles

CP(=O)(CCCN)O

Calculated Properties

JChem

Acid pKa

1.9878153

H Acceptors

3

H Donor

2

LogD (pH = 5.5)

-3.1173143

LogD (pH = 7.4)

-3.117776

Log P

-3.11724

Molar Refractivity

33.8311

Polarizability

13.400271

Polar Surface Area

63.32

Rotatable Bonds

3

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity