Molecule

ID:91646

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀O₃
Molecular Mass
238.2381
Exact Mass
238.06299418
Charge
0
InChI
InChI=1S/C15H10O3/c16-14-9-8-12(10-13(14)15(17)18)7-6-11-4-2-1-3-5-11/h1-5,8-10,16H,(H,17,18)
InChIKey
KMDHRTJLNUICNY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(C#Cc2ccccc2)ccc1O
Isomeric Smiles
Oc1c(cc(cc1)C#Cc1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
2.6413612
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.3230929
LogD (pH = 7.4)
0.59375256
Log P
4.098333
Molar Refractivity
63.1317
Polarizability
25.414125
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