Molecule

ID:1943

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀O₂
Molecular Mass
268.3502
Exact Mass
268.14632988
Charge
0
InChI
InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1
InChIKey
WKRLQDKEXYKHJB-HFTRVMKXSA-N
Canonic Smiles
Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@]2([C@H]1CCC2=O)C
Isomeric Smiles
c1(cc2c(cc1)[C@@H]1C(=CC2)[C@H]2[C@](CC1)(C(=O)CC2)C)O
Calculated Properties
JChem
LogD (pH = 7.4)
3.90
LogD (pH = 5.5)
3.90
Log P
3.90
Rotatable Bonds
0
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.41
Polar Surface Area
37.30
Polarizability
30.56
Molar Refractivity
79.93
LOG S
-3.14
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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