Molecule

ID:125147

General Information

Structure

MolImage

Molecular Formula

C₁₄H₁₂N₂

Molecular Mass

208.25848

Exact Mass

208.10004839

Charge

0

InChI

InChI=1S/C14H12N2/c15-16-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)16/h1-10H,15H2

InChIKey

SZBSSFJINJSGMH-UHFFFAOYSA-N

Canonic Smiles

Nn1cc(c2c1cccc2)c1ccccc1

Isomeric Smiles

Nn1cc(c2ccccc12)c1ccccc1

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

2.7534735

LogD (pH = 7.4)

2.753632

Log P

2.7536342

Molar Refractivity

68.1755

Polarizability

27.860918

Polar Surface Area

30.95

Rotatable Bonds

1

Lipinski's Rule of Five

true

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