Molecule

ID:58385

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₈O
Molecular Mass
250.33492
Exact Mass
250.1357652
Charge
0
InChI
InChI=1S/C18H18O/c1-13-11-14(2)17(15(3)12-13)9-10-18(19)16-7-5-4-6-8-16/h4-12H,1-3H3/b10-9+
InChIKey
KPFVYLKSZJDQAE-MDZDMXLPSA-N
Canonic Smiles
Cc1cc(C)c(c(c1)C)/C=C/C(=O)c1ccccc1
Isomeric Smiles
c1c(cc(c(c1C)/C=C/C(=O)c1ccccc1)C)C
Calculated Properties
JChem
Acid pKa
17.190165
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.4305897
LogD (pH = 7.4)
5.4305897
Log P
5.4305897
Molar Refractivity
82.0006
Polarizability
30.697922
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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