Molecule

ID:34723

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₃
Molecular Mass
178.1846
Exact Mass
178.06299418
Charge
0
InChI
InChI=1S/C10H10O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-7H,1H3,(H,11,12)/b6-5+
InChIKey
LZPNXAULYJPXEH-AATRIKPKSA-N
Canonic Smiles
COc1cccc(c1)/C=C/C(=O)O
Isomeric Smiles
C(=O)(/C=C/c1cc(OC)ccc1)O
Calculated Properties
JChem
Acid pKa
4.121134
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.58482563
LogD (pH = 7.4)
-1.1071202
Log P
1.978415
Molar Refractivity
49.5231
Polarizability
18.714418
Polar Surface Area
46.53
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
References
Bioactivity
Navigation