Molecule

ID:50168

General Information

Structure

MolImage

Molecular Formula

C₇H₁₅N

Molecular Mass

113.2007

Exact Mass

113.12044949

Charge

0

InChI

InChI=1S/C7H15N/c1-2-3-7-4-5-8-6-7/h7-8H,2-6H2,1H3

InChIKey

RKFKEXKTXWGBCN-UHFFFAOYSA-N

Canonic Smiles

CCCC1CNCC1

Isomeric Smiles

N1CC(CCC)CC1

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-1.7741045

LogD (pH = 7.4)

-1.7095807

Log P

1.4670291

Molar Refractivity

35.908

Polarizability

14.445701

Polar Surface Area

12.03

Rotatable Bonds

2

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