Molecule

ID:13145

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₃
Molecular Mass
300.3523
Exact Mass
300.14739251
Charge
0
InChI
InChI=1S/C17H20N2O3/c1-12-15(11-20)14-6-2-3-7-16(14)19(12)10-17(21)18-9-13-5-4-8-22-13/h2-3,6-7,11,13H,4-5,8-10H2,1H3,(H,18,21)
InChIKey
FPZDHLZBHMUBEG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)n(c2c1cccc2)CC(=O)NCC1CCCO1
Isomeric Smiles
c1ccc2c(c1)c(c(n2CC(=O)NCC1OCCC1)C)C=O
Calculated Properties
JChem
Acid pKa
15.358224
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5210533
LogD (pH = 7.4)
1.5210533
Log P
1.5210533
Molar Refractivity
84.8331
Polarizability
33.25357
Polar Surface Area
60.33
Rotatable Bonds
5
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