Molecule

ID:28784

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂ClNO
Molecular Mass
303.82638
Exact Mass
303.13899201
Charge
0
InChI
InChI=1S/C18H22ClNO/c1-14(2)13-21-18-10-6-4-8-16(18)12-20-11-15-7-3-5-9-17(15)19/h3-10,14,20H,11-13H2,1-2H3
InChIKey
KKFDRHVIAYTXOU-UHFFFAOYSA-N
Canonic Smiles
CC(COc1ccccc1CNCc1ccccc1Cl)C
Isomeric Smiles
c1(c(OCC(C)C)cccc1)CNCc1c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6449492
LogD (pH = 7.4)
4.3636794
Log P
4.9467444
Molar Refractivity
88.9308
Polarizability
35.049538
Polar Surface Area
21.26
Rotatable Bonds
7
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