Molecule

ID:111502

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O₂
Molecular Mass
150.1745
Exact Mass
150.06807956
Charge
0
InChI
InChI=1S/C9H10O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4H,1-3H3
InChIKey
QIXDHVDGPXBRRD-UHFFFAOYSA-N
Canonic Smiles
O=C1C=C(C)C(=O)C(=C1C)C
Isomeric Smiles
CC1=CC(=O)C(=C(C)C1=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2107654
LogD (pH = 7.4)
2.2107654
Log P
2.2107654
Molar Refractivity
44.1001
Polarizability
16.239624
Polar Surface Area
34.14
Rotatable Bonds
0
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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