Molecule

ID:87263

General Information
Structure
Molecular Formula
C₁₁H₁₄O₃
Molecular Mass
194.22706
Exact Mass
194.09429431
Charge
0
InChI
InChI=1S/C11H14O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3/t10-/m1/s1
InChIKey
DVIBDQWVFHDBOP-SNVBAGLBSA-N
Canonic Smiles
CCOC(=O)C[C@H](c1ccccc1)O
Isomeric Smiles
O(C(=O)C[C@H](c1ccccc1)O)CC
Calculated Properties
JChem
Acid pKa
14.2185135
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4833611
LogD (pH = 7.4)
1.4833611
Log P
1.4833611
Molar Refractivity
52.8458
Polarizability
20.916311
Polar Surface Area
46.53
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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