Molecule

ID:58152

General Information

Structure

MolImage

Molecular Formula

C₈H₁₇N

Molecular Mass

127.22728

Exact Mass

127.13609955

Charge

0

InChI

InChI=1S/C8H17N/c1-3-8(4-2)5-6-9-7-8/h9H,3-7H2,1-2H3

InChIKey

MHFVZMTVFSGIBV-UHFFFAOYSA-N

Canonic Smiles

CCC1(CC)CNCC1

Isomeric Smiles

C1C(CCN1)(CC)CC

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-1.3957907

LogD (pH = 7.4)

-1.3106629

Log P

1.84503

Molar Refractivity

40.3061

Polarizability

16.292534

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