Molecule

ID:111925

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₄
Molecular Mass
256.25338
Exact Mass
256.07355886
Charge
0
InChI
InChI=1S/C15H12O4/c16-12-5-1-10(2-6-12)14(18)8-4-11-3-7-13(17)9-15(11)19/h1-9,16-17,19H
InChIKey
VDYSHUXENHRSOO-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)C(=O)/C=C/c1ccc(cc1O)O
Isomeric Smiles
Oc1ccc(cc1)C(=O)/C=C/c1c(O)cc(O)cc1
Calculated Properties
JChem
Acid pKa
7.8095584
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
2.9775178
LogD (pH = 7.4)
2.8323126
Log P
2.9796293
Molar Refractivity
72.8197
Polarizability
27.142553
Polar Surface Area
77.76
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
References
Bioactivity
Navigation