Molecule

ID:90782

General Information

Structure

MolImage

Molecular Formula

C₇H₁₇N

Molecular Mass

115.21658

Exact Mass

115.13609955

Charge

0

InChI

InChI=1S/C7H17N/c1-3-5-7(8)6-4-2/h7H,3-6,8H2,1-2H3

InChIKey

CLJMMQGDJNYDER-UHFFFAOYSA-N

Canonic Smiles

CCCC(CCC)N

Isomeric Smiles

NC(CCC)CCC

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-0.9458531

LogD (pH = 7.4)

-0.66138476

Log P

2.0821064

Molar Refractivity

37.3362

Polarizability

15.189125

Polar Surface Area

26.02

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

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Molecule Details

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References

Bioactivity