Molecule

ID:97204

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClFN
Molecular Mass
203.6842032
Exact Mass
203.08770539
Charge
0
InChI
InChI=1S/C10H14FN.ClH/c1-10(2,12)7-8-3-5-9(11)6-4-8;/h3-6H,7,12H2,1-2H3;1H
InChIKey
WXNVDQWUGUEUMO-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccc(cc1)F)(N)C.Cl
Isomeric Smiles
NC(Cc1ccc(cc1)F)(C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.7974007
LogD (pH = 7.4)
-0.40598533
Log P
2.227529
Molar Refractivity
48.5598
Polarizability
18.789768
Polar Surface Area
26.02
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