Molecule

ID:12346

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₃
Molecular Mass
249.30556
Exact Mass
249.13649347
Charge
0
InChI
InChI=1S/C14H19NO3/c1-17-13-4-3-5-14(18-2)12(13)10-15-8-6-11(16)7-9-15/h3-5H,6-10H2,1-2H3
InChIKey
RIMZATUVLVIXIP-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1CN1CCC(=O)CC1)OC
Isomeric Smiles
N1(CCC(=O)CC1)Cc1c(cccc1OC)OC
Calculated Properties
JChem
Acid pKa
17.988726
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.2682471
LogD (pH = 7.4)
1.5765005
Log P
1.5822634
Molar Refractivity
70.0025
Polarizability
27.279285
Polar Surface Area
38.77
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