Molecule

ID:31648

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆FNO
Molecular Mass
209.2599432
Exact Mass
209.12159236
Charge
0
InChI
InChI=1S/C12H16FNO/c13-11-3-1-2-10(8-11)12(9-14)4-6-15-7-5-12/h1-3,8H,4-7,9,14H2
InChIKey
SZTJIHCPVBNZCD-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCOCC1)c1cccc(c1)F
Isomeric Smiles
C1(c2cc(F)ccc2)(CN)CCOCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.530668
LogD (pH = 7.4)
-0.5435424
Log P
1.4508348
Molar Refractivity
57.9218
Polarizability
22.440346
Polar Surface Area
35.25
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