Molecule

ID:84658

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃NO₄
Molecular Mass
305.36882
Exact Mass
305.16270822
Charge
0
InChI
InChI=1S/C17H23NO4/c1-5-6-7-13-8-9-14(12(2)10-13)18-15(17(20)22-4)11-16(19)21-3/h8-11,18H,5-7H2,1-4H3
InChIKey
AYIGBWVTACCTOX-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccc(c(c1)C)N/C(=C/C(=O)OC)/C(=O)OC
Isomeric Smiles
N(c1c(cc(cc1)CCCC)C)/C(=C/C(=O)OC)/C(=O)OC
Calculated Properties
JChem
Acid pKa
10.97579
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.993732
LogD (pH = 7.4)
3.993624
Log P
3.9937334
Molar Refractivity
87.9885
Polarizability
32.860394
Polar Surface Area
64.63
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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