Molecule

ID:132238

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₆O₃
Molecular Mass
302.40794
Exact Mass
302.18819469
Charge
0
InChI
InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,16-17,22H,3-8,10H2,1-2H3/t13-,14-,16-,17+,18-,19-/m0/s1
InChIKey
WTPMRQZHJLJSBO-XQALERBDSA-N
Canonic Smiles
O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2C(=O)C[C@]2([C@H]1CC[C@@H]2O)C)C
Isomeric Smiles
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@]2([C@H]1CC[C@@H]2O)C
Calculated Properties
JChem
LogD (pH = 7.4)
2.44
LogD (pH = 5.5)
2.44
Log P
2.44
Rotatable Bonds
0
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
14.69
Polar Surface Area
54.37
Polarizability
34.13
Molar Refractivity
85.10
LOG S
-2.76
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
References
Bioactivity
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