Molecule

ID:15330

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClFNO
Molecular Mass
245.7208832
Exact Mass
245.09827007
Charge
0
InChI
InChI=1S/C12H16FNO.ClH/c13-11-2-1-3-12(8-11)15-9-10-4-6-14-7-5-10;/h1-3,8,10,14H,4-7,9H2;1H
InChIKey
QWIFOAXJOXKXLH-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)OCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(COc2cc(F)ccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1687855
LogD (pH = 7.4)
-0.70801467
Log P
2.0626354
Molar Refractivity
57.712
Polarizability
22.503597
Polar Surface Area
21.26
Rotatable Bonds
3
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