Molecule

ID:126849

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₄ClNO₃
Molecular Mass
409.90526
Exact Mass
409.14447131
Charge
0
InChI
InChI=1S/C24H24ClNO3/c1-17(2)28-23-12-8-7-9-19(23)16-26(18(3)27)22-14-13-20(25)15-24(22)29-21-10-5-4-6-11-21/h4-15,17H,16H2,1-3H3
InChIKey
CGUBOFYHGYNUDL-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccccc1CN(c1ccc(cc1Oc1ccccc1)Cl)C(=O)C)C
Isomeric Smiles
CC(C)Oc1ccccc1CN(C(=O)C)c1ccc(Cl)cc1Oc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.519539
LogD (pH = 7.4)
5.519539
Log P
5.519539
Molar Refractivity
115.3257
Polarizability
45.031006
Polar Surface Area
38.77
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation