Molecule

ID:60732

General Information
Structure
Molecular Formula
C₂₂H₂₅NO₃
Molecular Mass
351.4388
Exact Mass
351.18344367
Charge
0
InChI
InChI=1S/C22H25NO3/c1-5-26-20(25)19(24)23-18-14-10-9-13-17(18)22(4,15-21(23,2)3)16-11-7-6-8-12-16/h6-14H,5,15H2,1-4H3
InChIKey
DZUCKZHCZIGEKQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)N1c2ccccc2C(CC1(C)C)(C)c1ccccc1
Isomeric Smiles
N1(C(CC(c2c1cccc2)(c1ccccc1)C)(C)C)C(=O)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.673131
LogD (pH = 7.4)
4.673131
Log P
4.673131
Molar Refractivity
111.9302
Polarizability
39.56493
Polar Surface Area
46.61
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