Molecule

ID:24784

General Information
Structure
Loading...
Molecular Formula
C₁₁H₁₅FN₂
Molecular Mass
194.2486032
Exact Mass
194.12192671
Charge
0
InChI
InChI=1S/C11H15FN2/c12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2
InChIKey
OOSZCNKVJAVHJI-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CN1CCNCC1
Isomeric Smiles
N1(Cc2ccc(F)cc2)CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6211846
LogD (pH = 7.4)
-0.29938278
Log P
1.5214162
Molar Refractivity
55.5725
Polarizability
21.50417
Polar Surface Area
15.27
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...