Molecule

ID:131366

General Information

Structure

MolImage

Molecular Formula

C₁₆H₁₀

Molecular Mass

204.24314199

Exact Mass

204.08149231

Charge

0

InChI

InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H/i5+2

InChIKey

GVEPBJHOBDJJJI-RHRFEJLCSA-N

Canonic Smiles

c1ccc2c(c1)c1cc[14cH]c3c1c2ccc3

Isomeric Smiles

c1ccc2c(c1)c1cccc3c1c2cc[14cH]3

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

4.2839274

LogD (pH = 7.4)

4.2839274

Log P

4.2839274

Molar Refractivity

66.7226

Polarizability

30.029507

Polar Surface Area

0.0

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

References

Bioactivity