Molecule

ID:44212

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₄O₂
Molecular Mass
274.31326
Exact Mass
274.09937969
Charge
0
InChI
InChI=1S/C19H14O2/c20-18-10-5-14(6-11-18)7-12-19(21)17-9-8-15-3-1-2-4-16(15)13-17/h1-13,20H/b12-7+
InChIKey
VUXHIPRYBOEAAE-KPKJPENVSA-N
Canonic Smiles
Oc1ccc(cc1)/C=C/C(=O)c1ccc2c(c1)cccc2
Isomeric Smiles
C(=C\c1ccc(cc1)O)/C(=O)c1cc2c(cc1)cccc2
Calculated Properties
JChem
Acid pKa
9.035386
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.576111
LogD (pH = 7.4)
4.5663548
Log P
4.5762367
Molar Refractivity
85.3081
Polarizability
33.54576
Polar Surface Area
37.3
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