Molecule

ID:62134

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅FN₂O
Molecular Mass
222.2587032
Exact Mass
222.11684133
Charge
0
InChI
InChI=1S/C12H15FN2O/c1-9(16)15-7-6-14-12(8-15)10-4-2-3-5-11(10)13/h2-5,12,14H,6-8H2,1H3
InChIKey
KKRRHAWZCKQGCT-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCNC(C1)c1ccccc1F
Isomeric Smiles
N1(C(=O)C)CC(c2c(F)cccc2)NCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.18039669
LogD (pH = 7.4)
0.7625384
Log P
0.8080776
Molar Refractivity
59.5139
Polarizability
23.045942
Polar Surface Area
32.34
Rotatable Bonds
1
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