Molecule

ID:42280

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₂
Molecular Mass
164.20108
Exact Mass
164.08372962
Charge
0
InChI
InChI=1S/C10H12O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-7,11H,8H2,1H3/b3-2+
InChIKey
NYICIIFSBJOBKE-NSCUHMNNSA-N
Canonic Smiles
OC/C=C/c1ccc(cc1)OC
Isomeric Smiles
C(=C\CO)/c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
15.623213
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6581404
LogD (pH = 7.4)
1.6581404
Log P
1.6581404
Molar Refractivity
49.6557
Polarizability
18.822567
Polar Surface Area
29.46
Rotatable Bonds
3
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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