Molecule

ID:91748

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₃
Molecular Mass
190.1953
Exact Mass
190.06299418
Charge
0
InChI
InChI=1S/C11H10O3/c1-14-11(13)10-6-2-4-9(8-10)5-3-7-12/h2,4,6,8,12H,7H2,1H3
InChIKey
NZCZFVYRCHQNLP-UHFFFAOYSA-N
Canonic Smiles
OCC#Cc1cccc(c1)C(=O)OC
Isomeric Smiles
OCC#Cc1cccc(c1)C(=O)OC
Calculated Properties
JChem
Acid pKa
14.111623
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.683217
LogD (pH = 7.4)
1.6832169
Log P
1.683217
Molar Refractivity
50.5311
Polarizability
19.789806
Polar Surface Area
46.53
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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