Molecule

ID:101042

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₂
Molecular Mass
238.28116
Exact Mass
238.09937969
Charge
0
InChI
InChI=1S/C16H14O2/c17-16(18)13-9-11-5-1-3-7-14(11)15-8-4-2-6-12(15)10-13/h1-8,13H,9-10H2,(H,17,18)
InChIKey
WZOCZHONAIWHPW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1Cc2ccccc2c2c(C1)cccc2
Isomeric Smiles
c12c3c(CC(C(=O)O)Cc1cccc2)cccc3
Calculated Properties
JChem
Acid pKa
4.743451
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.024985
LogD (pH = 7.4)
1.2480061
Log P
3.8509011
Molar Refractivity
70.3153
Polarizability
28.464697
Polar Surface Area
37.3
Rotatable Bonds
1
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