Molecule

ID:119336

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀O₄
Molecular Mass
264.3169
Exact Mass
264.13615912
Charge
0
InChI
InChI=1S/C15H20O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h5,7-9,11-12,18H,4,6H2,1-3H3/t8-,9-,11-,12+,14-,15+/m0/s1
InChIKey
NGPDZEACIWDCKX-WUDKWMPASA-N
Canonic Smiles
C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1([C@@H]2[C@](C)(O)C=CC1=O)C
Isomeric Smiles
[C@H]12[C@@H]3[C@](C(=O)C=C[C@]3(O)C)(CC[C@H]2[C@@H](C(=O)O1)C)C
Calculated Properties
JChem
Acid pKa
14.252762
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7767636
LogD (pH = 7.4)
1.7767634
Log P
1.7767636
Molar Refractivity
69.8323
Polarizability
27.41733
Polar Surface Area
63.6
Rotatable Bonds
0
Lipinski's Rule of Five
true
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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