Molecule

ID:2367

General Information

Structure

MolImage

Molecular Formula

C₇H₁₅NO

Molecular Mass

129.2001

Exact Mass

129.11536411

Charge

0

InChI

InChI=1S/C7H15NO/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H2,8,9)

InChIKey

AEDIXYWIVPYNBI-UHFFFAOYSA-N

Canonic Smiles

CCCCCCC(=O)N

Isomeric Smiles

CCCCCCC(=O)N

Calculated Properties

JChem

Acid pKa

17.118227

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

1.4485219

LogD (pH = 7.4)

1.4485222

Log P

1.4485222

Molar Refractivity

37.4968

Polarizability

14.829458

Polar Surface Area

43.09

Rotatable Bonds

5

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

1.81

LOG S

-1.53

Solubility (Water)

3.79e+00 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