Molecule

ID:64998

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁BF₂O₃
Molecular Mass
310.1439464
Exact Mass
310.15518137
Charge
0
InChI
InChI=1S/C16H21BF2O3/c1-15(2)16(3,4)22-17(21-15)11-7-12(18)13(19)8-14(11)20-9-10-5-6-10/h7-8,10H,5-6,9H2,1-4H3
InChIKey
TVDPVJZHYPPVSB-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(c(cc1F)OCC1CC1)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
c1(c(cc(c(c1)B1OC(C(O1)(C)C)(C)C)OCC1CC1)F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.6366
LogD (pH = 7.4)
4.6366
Log P
4.6366
Molar Refractivity
74.5511
Polarizability
30.688179
Polar Surface Area
27.69
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