Molecule

ID:41988

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈O₂
Molecular Mass
218.29152
Exact Mass
218.13067982
Charge
0
InChI
InChI=1S/C14H18O2/c1-4-16-14(15)10-7-12-5-8-13(9-6-12)11(2)3/h5-11H,4H2,1-3H3/b10-7+
InChIKey
XCRHYAQWBYDRGV-JXMROGBWSA-N
Canonic Smiles
CCOC(=O)/C=C/c1ccc(cc1)C(C)C
Isomeric Smiles
C(=C\c1ccc(cc1)C(C)C)/C(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1171308
LogD (pH = 7.4)
4.1171308
Log P
4.1171308
Molar Refractivity
66.7684
Polarizability
25.588406
Polar Surface Area
26.3
Rotatable Bonds
5
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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