Molecule

ID:79617

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈O₂
Molecular Mass
254.32362
Exact Mass
254.13067982
Charge
0
InChI
InChI=1S/C17H18O2/c1-17(2,3)13-9-10-15(18)14(11-13)16(19)12-7-5-4-6-8-12/h4-11,18H,1-3H3
InChIKey
IAAWULFRQOKLJI-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1C(=O)c1ccccc1)C(C)(C)C
Isomeric Smiles
O=C(c1c(ccc(c1)C(C)(C)C)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
8.406023
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.3235545
LogD (pH = 7.4)
5.2835374
Log P
5.32409
Molar Refractivity
77.2803
Polarizability
29.89317
Polar Surface Area
37.3
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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