Molecule
ID:99205
General Information
Molecular Formula
C₈H₅ClF₁₅N
Molecular Mass
435.561048
Exact Mass
434.98710015
Charge
0
InChI
InChI=1S/C8H4F15N.ClH/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h1,24H2;1H
InChIKey
YFCHWDBOGIPKCK-UHFFFAOYSA-N
Canonic Smiles
NCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.Cl
Isomeric Smiles
NCC(C(C(C(C(F)(F)C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6739213
LogD (pH = 7.4)
4.2409368
Log P
4.5334935
Molar Refractivity
43.3769
Polarizability
17.0851
Polar Surface Area
26.02
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...