Molecule

ID:136378

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₃
Molecular Mass
249.30556
Exact Mass
249.13649347
Charge
0
InChI
InChI=1S/C14H19NO3/c1-2-18-13(16)8-14(10-17-11-14)15-9-12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3
InChIKey
UNDXXTHRTOJMJR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC1(COC1)NCc1ccccc1
Isomeric Smiles
CCOC(=O)CC1(COC1)NCc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.26323482
LogD (pH = 7.4)
1.2670112
Log P
1.514328
Molar Refractivity
68.242
Polarizability
27.312239
Polar Surface Area
47.56
Rotatable Bonds
7
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
References
Bioactivity
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