Molecule

ID:64940

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClFNO
Molecular Mass
203.6411432
Exact Mass
203.05131988
Charge
0
InChI
InChI=1S/C9H10FNO.ClH/c10-7-3-1-2-6-8(11)4-5-12-9(6)7;/h1-3,8H,4-5,11H2;1H
InChIKey
CDKWCMPLLLFKBM-UHFFFAOYSA-N
Canonic Smiles
NC1CCOc2c1cccc2F.Cl
Isomeric Smiles
C1CC(c2c(O1)c(ccc2)F)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8795485
LogD (pH = 7.4)
-0.5856825
Log P
1.0322468
Molar Refractivity
43.7776
Polarizability
16.989649
Polar Surface Area
35.25
Rotatable Bonds
0
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