Molecule

ID:33730

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₃
Molecular Mass
261.31626
Exact Mass
261.13649347
Charge
0
InChI
InChI=1S/C15H19NO3/c1-19-14-6-4-12(5-7-15(17)18)10-13(14)11-16-8-2-3-9-16/h4-7,10H,2-3,8-9,11H2,1H3,(H,17,18)/b7-5+
InChIKey
GBYHKJDXNAFPRF-FNORWQNLSA-N
Canonic Smiles
COc1ccc(cc1CN1CCCC1)/C=C/C(=O)O
Isomeric Smiles
c1(CN2CCCC2)c(ccc(/C=C/C(=O)O)c1)OC
Calculated Properties
JChem
Acid pKa
3.769313
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.40921187
LogD (pH = 7.4)
-0.42054003
Log P
-0.40519282
Molar Refractivity
75.6068
Polarizability
28.709637
Polar Surface Area
49.77
Rotatable Bonds
5
Lipinski's Rule of Five
true
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
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References
Bioactivity
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