Molecule

ID:15781

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇FN₂O
Molecular Mass
224.2745832
Exact Mass
224.13249139
Charge
0
InChI
InChI=1S/C12H17FN2O/c13-11-3-1-2-4-12(11)16-10-9-15-7-5-14-6-8-15/h1-4,14H,5-10H2
InChIKey
ZIDLWEFXRRUFGQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1OCCN1CCNCC1
Isomeric Smiles
c1ccc(c(c1)OCCN1CCNCC1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6882105
LogD (pH = 7.4)
-0.37176633
Log P
1.4409926
Molar Refractivity
61.5121
Polarizability
24.03249
Polar Surface Area
24.5
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