Molecule

ID:130397

General Information

Structure

MolImage

Molecular Formula

C₂₀H₂₇N

Molecular Mass

281.43508

Exact Mass

281.21434987

Charge

0

InChI

InChI=1S/C20H27N/c1-16(21-20(2,3)4)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19,21H,15H2,1-4H3

InChIKey

UISARWKNNNHPGI-UHFFFAOYSA-N

Canonic Smiles

CC(NC(C)(C)C)CC(c1ccccc1)c1ccccc1

Isomeric Smiles

c1ccccc1C(c1ccccc1)CC(NC(C)(C)C)C

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

1.9199173

LogD (pH = 7.4)

2.227871

Log P

5.1561823

Molar Refractivity

91.53

Polarizability

36.24393

Polar Surface Area

12.03

Rotatable Bonds

6

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity