Molecule

ID:19096

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O
Molecular Mass
248.36386
Exact Mass
248.1888634
Charge
0
InChI
InChI=1S/C15H24N2O/c1-18-14-8-6-13(7-9-14)15(12-16)17-10-4-2-3-5-11-17/h6-9,15H,2-5,10-12,16H2,1H3
InChIKey
CPASXXYSPZFNNT-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(cc1)OC)N1CCCCCC1
Isomeric Smiles
N1(C(c2ccc(cc2)OC)CN)CCCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.138035
LogD (pH = 7.4)
0.16547623
Log P
2.3146894
Molar Refractivity
75.4269
Polarizability
29.925121
Polar Surface Area
38.49
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