Molecule

ID:94056

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁F₆N
Molecular Mass
271.2021592
Exact Mass
271.07956868
Charge
0
InChI
InChI=1S/C11H11F6N/c1-6(18-2)7-3-8(10(12,13)14)5-9(4-7)11(15,16)17/h3-6,18H,1-2H3/t6-/m1/s1
InChIKey
ZHIAARPZLAPMHX-ZCFIWIBFSA-N
Canonic Smiles
CN[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C
Isomeric Smiles
N([C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.5471956
LogD (pH = 7.4)
1.7191277
Log P
3.7038667
Molar Refractivity
55.6722
Polarizability
19.90798
Polar Surface Area
12.03
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