Molecule

ID:111386

General Information

Structure

MolImage

Molecular Formula

C₁₄H₃₀S

Molecular Mass

230.453

Exact Mass

230.20682196

Charge

0

InChI

InChI=1S/C14H30S/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15/h15H,4-13H2,1-3H3

InChIKey

LMDDHLWHSDZGIH-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCCCCCC(S)(C)C

Isomeric Smiles

CCCCCCCCCCCC(C)(C)S

Calculated Properties

JChem

Acid pKa

9.990111

H Acceptors

0

H Donor

1

LogD (pH = 5.5)

6.1028233

LogD (pH = 7.4)

6.1018023

Log P

6.1028366

Molar Refractivity

74.1269

Polarizability

29.638266

Polar Surface Area

0.0

Rotatable Bonds

10

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