Molecule

ID:37810

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClFNO
Molecular Mass
217.6677232
Exact Mass
217.06696994
Charge
0
InChI
InChI=1S/C10H12FNO.ClH/c11-10-4-2-1-3-8(10)7-13-9-5-12-6-9;/h1-4,9,12H,5-7H2;1H
InChIKey
HBBGKVZKHKFSDG-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1COC1CNC1.Cl
Isomeric Smiles
C1NCC1OCc1ccccc1F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4390738
LogD (pH = 7.4)
0.1339016
Log P
1.5155632
Molar Refractivity
48.2671
Polarizability
18.838821
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