Molecule

ID:58349

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆FNO
Molecular Mass
233.2813432
Exact Mass
233.12159236
Charge
0
InChI
InChI=1S/C14H16FNO/c1-14(2)8-10(7-11(17)9-14)16-13-6-4-3-5-12(13)15/h3-7,16H,8-9H2,1-2H3
InChIKey
NSVGOUMJUPQQKS-UHFFFAOYSA-N
Canonic Smiles
O=C1C=C(Nc2ccccc2F)CC(C1)(C)C
Isomeric Smiles
C1C(CC(=CC1=O)Nc1c(cccc1)F)(C)C
Calculated Properties
JChem
Acid pKa
14.926253
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8233335
LogD (pH = 7.4)
2.8233335
Log P
2.8233335
Molar Refractivity
68.6176
Polarizability
24.953249
Polar Surface Area
29.1
Rotatable Bonds
2
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