Molecule

ID:84056

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₂
Molecular Mass
212.24388
Exact Mass
212.08372962
Charge
0
InChI
InChI=1S/C14H12O2/c1-11-4-6-12(7-5-11)14(15)9-8-13-3-2-10-16-13/h2-10H,1H3
InChIKey
OHUPSIYNIKCTNE-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C(=O)/C=C/c1ccco1
Isomeric Smiles
o1c(ccc1)/C=C/C(=O)c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
15.156496
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4639933
LogD (pH = 7.4)
3.4639933
Log P
3.4639933
Molar Refractivity
64.3091
Polarizability
23.966185
Polar Surface Area
30.21
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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