Molecule

ID:43872

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₃
Molecular Mass
249.30556
Exact Mass
249.13649347
Charge
0
InChI
InChI=1S/C14H19NO3/c1-18-14(17)12-2-4-13(5-3-12)15-8-6-11(10-16)7-9-15/h2-5,11,16H,6-10H2,1H3
InChIKey
ZIIVWFQRLJHUNJ-UHFFFAOYSA-N
Canonic Smiles
OCC1CCN(CC1)c1ccc(cc1)C(=O)OC
Isomeric Smiles
N1(c2ccc(C(=O)OC)cc2)CCC(CC1)CO
Calculated Properties
JChem
Acid pKa
15.467152
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8595259
LogD (pH = 7.4)
1.8633777
Log P
1.8634269
Molar Refractivity
71.0542
Polarizability
26.830492
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation