Molecule

ID:30782

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₃
Molecular Mass
249.30556
Exact Mass
249.13649347
Charge
0
InChI
InChI=1S/C14H19NO3/c1-18-13-8-3-2-6-11(13)10-15-9-5-4-7-12(15)14(16)17/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,16,17)
InChIKey
QGAXUFYVQFXXON-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CN1CCCCC1C(=O)O
Isomeric Smiles
N1(Cc2c(OC)cccc2)C(C(=O)O)CCCC1
Calculated Properties
JChem
Acid pKa
1.5632259
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.4317217
LogD (pH = 7.4)
-0.43653572
Log P
-0.43176928
Molar Refractivity
69.0358
Polarizability
27.04337
Polar Surface Area
49.77
Rotatable Bonds
4
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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