Molecule

ID:21686

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₃
Molecular Mass
178.1846
Exact Mass
178.06299418
Charge
0
InChI
InChI=1S/C10H10O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+
InChIKey
FEGVSPGUHMGGBO-VOTSOKGWSA-N
Canonic Smiles
COc1ccccc1/C=C/C(=O)O
Isomeric Smiles
C(=C\C(=O)O)/c1c(OC)cccc1
Calculated Properties
JChem
LogD (pH = 7.4)
-1.15
LogD (pH = 5.5)
0.52
Log P
1.98
Rotatable Bonds
3
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.05
Polar Surface Area
46.53
Polarizability
18.22
Molar Refractivity
49.52
LOG S
-2.12
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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