Molecule

ID:59033

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₃
Molecular Mass
190.1953
Exact Mass
190.06299418
Charge
0
InChI
InChI=1S/C11H10O3/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-6+
InChIKey
VNJMEFZKYZHWEO-VOTSOKGWSA-N
Canonic Smiles
O=C(c1ccc(cc1)C)/C=C/C(=O)O
Isomeric Smiles
c1c(ccc(c1)C(=O)/C=C/C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.6059766
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.33715388
LogD (pH = 7.4)
-1.1141984
Log P
2.226746
Molar Refractivity
53.4653
Polarizability
19.786259
Polar Surface Area
54.37
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