Molecule

ID:39714

General Information

Structure

Molecular Formula

C₁₄H₁₂O

Molecular Mass

196.24448

Exact Mass

196.088815

Charge

0

InChI

InChI=1S/C14H12O/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-11,15H/b11-10+

InChIKey

AYPZAZPOYROADP-ZHACJKMWSA-N

Canonic Smiles

Oc1ccccc1/C=C/c1ccccc1

Isomeric Smiles

C(=C\c1ccccc1)/c1c(O)cccc1

Calculated Properties

JChem

Acid pKa

9.327935

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

4.0094576

LogD (pH = 7.4)

4.004455

Log P

4.0095215

Molar Refractivity

63.4937

Polarizability

24.192173

Polar Surface Area

20.23

Rotatable Bonds

2

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