Molecule

ID:52879

General Information

Structure

Molecular Formula

C₁₁H₂₃N

Molecular Mass

169.30702

Exact Mass

169.18304974

Charge

0

InChI

InChI=1S/C11H23N/c1-12-11-9-7-5-3-2-4-6-8-10-11/h11-12H,2-10H2,1H3

InChIKey

BOYGZZJDNIMQTC-UHFFFAOYSA-N

Canonic Smiles

CNC1CCCCCCCCC1

Isomeric Smiles

C1CCCCCCC(CC1)NC

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

0.14683682

LogD (pH = 7.4)

0.3906242

Log P

3.3846667

Molar Refractivity

54.1116

Polarizability

21.833244

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