Molecule

ID:13086

General Information
Structure
Molecular Formula
C₁₆H₁₈N₂O₂
Molecular Mass
270.32632
Exact Mass
270.13682783
Charge
0
InChI
InChI=1S/C16H18N2O2/c1-12-14(11-19)13-6-2-3-7-15(13)18(12)10-16(20)17-8-4-5-9-17/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKey
OUHCIORPHHVHDL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)n(c2c1cccc2)CC(=O)N1CCCC1
Isomeric Smiles
c1ccc2c(c1)c(c(n2CC(=O)N1CCCC1)C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7319379
LogD (pH = 7.4)
1.7319379
Log P
1.7319379
Molar Refractivity
79.0161
Polarizability
30.726925
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