Molecule

ID:97487

General Information
Structure
Molecular Formula
C₁₅H₂₀F₃N₅
Molecular Mass
327.3480096
Exact Mass
327.16708033
Charge
0
InChI
InChI=1S/C15H20F3N5/c1-14(2,3)10-8-12-20-11(15(16,17)18)9-13(23(12)21-10)22-6-4-19-5-7-22/h8-9,19H,4-7H2,1-3H3
InChIKey
GOIBENJQABAIQK-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc(N2CCNCC2)n2c(n1)cc(n2)C(C)(C)C)(F)F
Isomeric Smiles
n1c(cc2n1c(cc(n2)C(F)(F)F)N1CCNCC1)C(C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.5199203
LogD (pH = 7.4)
2.0569804
Log P
3.5089846
Molar Refractivity
92.1065
Polarizability
30.083805
Polar Surface Area
45.46
Rotatable Bonds
3
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