Molecule

ID:35317

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅NO₄
Molecular Mass
307.3847
Exact Mass
307.17835829
Charge
0
InChI
InChI=1S/C17H25NO4/c1-4-22-17(21)15-9-11(2)18(12(15)3)10-13-5-7-14(8-6-13)16(19)20/h9,13-14H,4-8,10H2,1-3H3,(H,19,20)
InChIKey
QVUYWXIAANTCOL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(n(c1C)CC1CCC(CC1)C(=O)O)C
Isomeric Smiles
c1(c(n(c(c1)C)CC1CCC(C(=O)O)CC1)C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
4.606042
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4281108
LogD (pH = 7.4)
0.6518869
Log P
3.3732414
Molar Refractivity
84.7717
Polarizability
32.2931
Polar Surface Area
68.53
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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