Molecule

ID:34128

General Information

Structure

MolImage

Molecular Formula

C₁₅H₁₀O₂

Molecular Mass

222.2387

Exact Mass

222.06807956

Charge

0

InChI

InChI=1S/C15H10O2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,(H,16,17)

InChIKey

OGZUGPOTBGMCLE-UHFFFAOYSA-N

Canonic Smiles

OC(=O)c1ccc(cc1)C#Cc1ccccc1

Isomeric Smiles

c1(ccccc1)C#Cc1ccc(cc1)C(=O)O

Calculated Properties

JChem

Acid pKa

4.208291

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

2.4410563

LogD (pH = 7.4)

0.7241001

Log P

3.751898

Molar Refractivity

61.1508

Polarizability

24.815226

Polar Surface Area

37.3

Rotatable Bonds

3

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

暂无数据

点击上传数据

References

Bioactivity