Molecule

ID:83251

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O
Molecular Mass
148.20168
Exact Mass
148.088815
Charge
0
InChI
InChI=1S/C10H12O/c1-8(2)9-4-6-10(11-3)7-5-9/h4-7H,1H2,2-3H3
InChIKey
XCTSGGVBLWBSIJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=C)C
Isomeric Smiles
O(c1ccc(cc1)C(=C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8516712
LogD (pH = 7.4)
2.8516712
Log P
2.8516712
Molar Refractivity
46.4895
Polarizability
18.239012
Polar Surface Area
9.23
Rotatable Bonds
2
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
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References
Bioactivity
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