Molecule

ID:89963

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O
Molecular Mass
148.20168
Exact Mass
148.088815
Charge
0
InChI
InChI=1S/C10H12O/c1-3-9-5-4-6-10(7-9)8(2)11/h4-7H,3H2,1-2H3
InChIKey
ZRYRILAFFDKOPB-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc(c1)C(=O)C
Isomeric Smiles
O=C(c1cc(ccc1)CC)C
Calculated Properties
JChem
Acid pKa
16.11881
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4888835
LogD (pH = 7.4)
2.4888835
Log P
2.4888835
Molar Refractivity
46.103
Polarizability
17.684454
Polar Surface Area
17.07
Rotatable Bonds
2
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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