Molecule

ID:20454

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈FNO
Molecular Mass
259.3186232
Exact Mass
259.13724242
Charge
0
InChI
InChI=1S/C16H18FNO/c1-16(2,3)11-5-4-6-13(9-11)19-15-8-7-12(18)10-14(15)17/h4-10H,18H2,1-3H3
InChIKey
JRSFPHFWKHCVMK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)Oc1cccc(c1)C(C)(C)C
Isomeric Smiles
c1(c(cc(N)cc1)F)Oc1cc(C(C)(C)C)ccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.329214
LogD (pH = 7.4)
4.3323255
Log P
4.332365
Molar Refractivity
75.8815
Polarizability
28.729643
Polar Surface Area
35.25
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