Molecule

ID:43568

General Information

Structure

MolImage

Molecular Formula

C₇H₁₅NO₂

Molecular Mass

145.1995

Exact Mass

145.11027873

Charge

0

InChI

InChI=1S/C7H15NO2/c1-4-5(2)6(8)7(9)10-3/h5-6H,4,8H2,1-3H3

InChIKey

YXMMTUJDQTVJEN-UHFFFAOYSA-N

Canonic Smiles

CCC(C(C(=O)OC)N)C

Isomeric Smiles

C(=O)(C(N)C(CC)C)OC

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-1.0398047

LogD (pH = 7.4)

0.5620186

Log P

0.89924663

Molar Refractivity

38.863

Polarizability

15.9186325

Polar Surface Area

52.32

Rotatable Bonds

4

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity