Molecule

ID:47666

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀F₃N₃
Molecular Mass
335.3667096
Exact Mass
335.16093232
Charge
0
InChI
InChI=1S/C18H20F3N3/c19-18(20,21)15-6-7-17(16(22)12-15)24-10-8-23(9-11-24)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13,22H2
InChIKey
JATSJQDJFUHEDO-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(ccc1N1CCN(CC1)Cc1ccccc1)C(F)(F)F
Isomeric Smiles
C(c1cc(c(N2CCN(Cc3ccccc3)CC2)cc1)N)(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2258407
LogD (pH = 7.4)
2.991337
Log P
3.7018049
Molar Refractivity
91.8234
Polarizability
33.161087
Polar Surface Area
32.5
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