Molecule

ID:125483

General Information

Structure

MolImage

Molecular Formula

C₁₄H₂₀N₂

Molecular Mass

216.322

Exact Mass

216.16264865

Charge

0

InChI

InChI=1S/C14H20N2/c1-4-11-5-6-14-13(9-11)12(10-15-14)7-8-16(2)3/h5-6,9-10,15H,4,7-8H2,1-3H3

InChIKey

ZEHXYLDGQMEYAX-UHFFFAOYSA-N

Canonic Smiles

CCc1ccc2c(c1)c(CCN(C)C)c[nH]2

Isomeric Smiles

CN(C)CCc1c[nH]c2ccc(CC)cc12

Calculated Properties

JChem

Acid pKa

17.374123

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-0.13751787

LogD (pH = 7.4)

1.1071281

Log P

3.2600558

Molar Refractivity

70.0844

Polarizability

28.073292

Polar Surface Area

19.03

Rotatable Bonds

4

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

Click here to submit data

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

References

Bioactivity