Molecule

ID:19404

General Information

Structure

MolImage

Molecular Formula

C₁₄H₁₅N

Molecular Mass

197.2756

Exact Mass

197.12044949

Charge

0

InChI

InChI=1S/C14H15N/c1-10-6-7-13(8-11(10)2)12-4-3-5-14(15)9-12/h3-9H,15H2,1-2H3

InChIKey

HDZFUSLSIHQFOF-UHFFFAOYSA-N

Canonic Smiles

Nc1cccc(c1)c1ccc(c(c1)C)C

Isomeric Smiles

c1(cc(c(cc1)C)C)c1cc(N)ccc1

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

3.7877219

LogD (pH = 7.4)

3.817988

Log P

3.818388

Molar Refractivity

65.977

Polarizability

26.118568

Polar Surface Area

26.02

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity