Molecule

ID:112802

General Information

Structure

Molecular Formula

C₁₄H₃₁N

Molecular Mass

213.40264

Exact Mass

213.24565

Charge

0

InChI

InChI=1S/C14H31N/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h14H,3-13,15H2,1-2H3

InChIKey

RRLSSXNOPYHNQL-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCCCCCCC(N)C

Isomeric Smiles

CCCCCCCCCCCCC(C)N

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

2.0884724

LogD (pH = 7.4)

2.3847737

Log P

5.116133

Molar Refractivity

69.6202

Polarizability

28.1184

Polar Surface Area

26.02

Rotatable Bonds

11

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity