Molecule

ID:29474

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₅NO₂
Molecular Mass
369.5402
Exact Mass
369.26677937
Charge
0
InChI
InChI=1S/C24H35NO2/c1-18(2)14-15-26-23-9-7-8-21(16-23)25-17-19(3)27-22-12-10-20(11-13-22)24(4,5)6/h7-13,16,18-19,25H,14-15,17H2,1-6H3
InChIKey
KDMREIMRDIAZFL-UHFFFAOYSA-N
Canonic Smiles
CC(CCOc1cccc(c1)NCC(Oc1ccc(cc1)C(C)(C)C)C)C
Isomeric Smiles
C(c1ccc(OC(CNc2cc(OCCC(C)C)ccc2)C)cc1)(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.4976683
LogD (pH = 7.4)
6.5048594
Log P
6.5049515
Molar Refractivity
114.7741
Polarizability
44.476803
Polar Surface Area
30.49
Rotatable Bonds
10
Lipinski's Rule of Five
false
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