Molecule

ID:104248

General Information

Structure

MolImage

Molecular Formula

C₁₈H₃₁ClO

Molecular Mass

298.89114

Exact Mass

298.20634329

Charge

0

InChI

InChI=1S/C18H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3

InChIKey

FBWMYSQUTZRHAT-UHFFFAOYSA-N

Canonic Smiles

CCCCC/C=C/C/C=C/CCCCCCCC(=O)Cl

Isomeric Smiles

CCCCC/C=C/C/C=C/CCCCCCCC(=O)Cl

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

6.9552064

LogD (pH = 7.4)

6.9552064

Log P

6.9552064

Molar Refractivity

92.3773

Polarizability

35.337936

Polar Surface Area

17.07

Rotatable Bonds

14

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