Molecule

ID:117150

General Information

Structure

MolImage

Molecular Formula

C₇H₁₅N

Molecular Mass

113.2007

Exact Mass

113.12044949

Charge

0

InChI

InChI=1S/C7H15N/c1-6(2)7-3-4-8-5-7/h6-8H,3-5H2,1-2H3

InChIKey

QFHZPMOJWIBZCS-UHFFFAOYSA-N

Canonic Smiles

CC(C1CNCC1)C

Isomeric Smiles

N1CC(C(C)C)CC1

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-1.9316278

LogD (pH = 7.4)

-1.8653332

Log P

1.3094796

Molar Refractivity

35.8556

Polarizability

14.445701

Polar Surface Area

12.03

Rotatable Bonds

1

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