Molecule

ID:20191

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇F₃N₂O
Molecular Mass
310.3141896
Exact Mass
310.12929783
Charge
0
InChI
InChI=1S/C16H17F3N2O/c1-21(13-5-3-2-4-6-13)9-10-22-15-8-7-12(20)11-14(15)16(17,18)19/h2-8,11H,9-10,20H2,1H3
InChIKey
IWEFXFCMUQQCNV-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(F)(F)F)OCCN(c1ccccc1)C
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)N)OCCN(c1ccccc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.7539268
LogD (pH = 7.4)
3.7740006
Log P
3.7742617
Molar Refractivity
81.7129
Polarizability
29.416323
Polar Surface Area
38.49
Rotatable Bonds
6
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