Molecule

ID:23100

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O
Molecular Mass
248.36386
Exact Mass
248.1888634
Charge
0
InChI
InChI=1S/C15H24N2O/c1-3-4-5-6-7-8-15(18)17-14-10-9-13(16)11-12(14)2/h9-11H,3-8,16H2,1-2H3,(H,17,18)
InChIKey
REMMZGXCIJOUGS-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC(=O)Nc1ccc(cc1C)N
Isomeric Smiles
N(c1c(cc(N)cc1)C)C(=O)CCCCCCC
Calculated Properties
JChem
Acid pKa
16.238811
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.7951894
LogD (pH = 7.4)
3.8185248
Log P
3.8188307
Molar Refractivity
78.2945
Polarizability
29.169403
Polar Surface Area
55.12
Rotatable Bonds
7
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