Molecule

ID:83780

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₃
Molecular Mass
240.25398
Exact Mass
240.07864424
Charge
0
InChI
InChI=1S/C15H12O3/c16-12-5-3-4-11(10-12)8-9-15(18)13-6-1-2-7-14(13)17/h1-10,16-17H
InChIKey
BLEVPIDFNNFTHJ-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)/C=C/C(=O)c1ccccc1O
Isomeric Smiles
O=C(c1ccccc1O)/C=C/c1cc(ccc1)O
Calculated Properties
JChem
Acid pKa
8.168529
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.9322705
LogD (pH = 7.4)
3.8647966
Log P
3.9331946
Molar Refractivity
70.8388
Polarizability
26.539824
Polar Surface Area
57.53
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
Navigation