Molecule

ID:11561

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂O₂
Molecular Mass
298.37948
Exact Mass
298.16812795
Charge
0
InChI
InChI=1S/C18H22N2O2/c1-13-7-9-19(10-8-13)18(22)11-20-14(2)16(12-21)15-5-3-4-6-17(15)20/h3-6,12-13H,7-11H2,1-2H3
InChIKey
BOKFPTPAAQLKSQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)n(c2c1cccc2)CC(=O)N1CCC(CC1)C
Isomeric Smiles
n1(c(c(c2c1cccc2)C=O)C)CC(=O)N1CCC(CC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4635255
LogD (pH = 7.4)
2.4635255
Log P
2.4635255
Molar Refractivity
88.1657
Polarizability
34.416042
Polar Surface Area
42.31
Rotatable Bonds
3
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