Molecule

ID:46720

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClF₂NO
Molecular Mass
277.7379264
Exact Mass
277.10449832
Charge
0
InChI
InChI=1S/C13H17F2NO.ClH/c14-12-4-3-11(8-13(12)15)17-7-5-10-2-1-6-16-9-10;/h3-4,8,10,16H,1-2,5-7,9H2;1H
InChIKey
UEHVXWKJRNEAKZ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1F)OCCC1CCCNC1.Cl
Isomeric Smiles
c1(cc(ccc1F)OCCC1CNCCC1)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.58441615
LogD (pH = 7.4)
-0.20836605
Log P
2.649906
Molar Refractivity
62.5294
Polarizability
24.044714
Polar Surface Area
21.26
Rotatable Bonds
4
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