Molecule

ID:47660

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇F₃N₂
Molecular Mass
246.2719896
Exact Mass
246.13438321
Charge
0
InChI
InChI=1S/C12H17F3N2/c1-3-4-7-17(2)11-6-5-9(8-10(11)16)12(13,14)15/h5-6,8H,3-4,7,16H2,1-2H3
InChIKey
VPBQDRPMJQMTCQ-UHFFFAOYSA-N
Canonic Smiles
CCCCN(c1ccc(cc1N)C(F)(F)F)C
Isomeric Smiles
C(c1cc(c(cc1)N(CCCC)C)N)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4009407
LogD (pH = 7.4)
3.4533997
Log P
3.454111
Molar Refractivity
65.0343
Polarizability
22.857908
Polar Surface Area
29.26
Rotatable Bonds
5
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