Molecule

ID:2618

General Information

Structure

MolImage

Molecular Formula

C₂H₆NO₄P

Molecular Mass

139.047101

Exact Mass

139.00344431

Charge

0

InChI

InChI=1S/C2H6NO4P/c3-1-2-7-8(4,5)6/h1-2H,3H2,(H2,4,5,6)/b2-1+

InChIKey

KYMLMTPYCDIFEC-OWOJBTEDSA-N

Canonic Smiles

N/C=C/OP(=O)(O)O

Isomeric Smiles

N/C=C/OP(=O)(O)O

Calculated Properties

JChem

Acid pKa

1.4013666

H Acceptors

4

H Donor

3

LogD (pH = 5.5)

-2.8005412

LogD (pH = 7.4)

-4.434205

Log P

-2.3865657

Molar Refractivity

26.4616

Polarizability

10.527931

Polar Surface Area

92.78

Rotatable Bonds

2

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

-1.52

LOG S

-0.87

Solubility (Water)

1.88e+01 g/l

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