Molecule

ID:101415

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO₃
Molecular Mass
237.29486
Exact Mass
237.13649347
Charge
0
InChI
InChI=1S/C13H19NO3/c1-14(2)9-4-10-17-12-7-5-11(6-8-12)13(15)16-3/h5-8H,4,9-10H2,1-3H3
InChIKey
SRXQDDFKGDLAJM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)OCCCN(C)C
Isomeric Smiles
C(=O)(c1ccc(cc1)OCCCN(C)C)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.4119425
LogD (pH = 7.4)
0.044683203
Log P
1.8976557
Molar Refractivity
67.431
Polarizability
26.155714
Polar Surface Area
38.77
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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