Molecule

ID:107627

General Information

Structure

MolImage

Molecular Formula

C₁₆H₁₈N₂

Molecular Mass

238.32752

Exact Mass

238.14699859

Charge

0

InChI

InChI=1S/C16H18N2/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-10H,11-14H2

InChIKey

LLZRSOPHIGKISM-UHFFFAOYSA-N

Canonic Smiles

c1ccc(cc1)N1CCN(CC1)c1ccccc1

Isomeric Smiles

C1CN(CCN1c1ccccc1)c1ccccc1

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

3.813019

LogD (pH = 7.4)

3.8194468

Log P

3.8195295

Molar Refractivity

77.0352

Polarizability

28.892824

Polar Surface Area

6.48

Rotatable Bonds

2

Lipinski's Rule of Five

true

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