Molecule

ID:29668

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₃NO₃
Molecular Mass
383.52372
Exact Mass
383.24604392
Charge
0
InChI
InChI=1S/C24H33NO3/c1-2-3-4-7-15-27-24-14-6-5-10-20(24)18-25-21-11-8-12-22(17-21)28-19-23-13-9-16-26-23/h5-6,8,10-12,14,17,23,25H,2-4,7,9,13,15-16,18-19H2,1H3
InChIKey
GDUQTXFLPJUQFE-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOc1ccccc1CNc1cccc(c1)OCC1CCCO1
Isomeric Smiles
c1(CNc2cc(OCC3OCCC3)ccc2)c(OCCCCCC)cccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
5.483547
LogD (pH = 7.4)
5.486739
Log P
5.4867797
Molar Refractivity
115.1211
Polarizability
44.48583
Polar Surface Area
39.72
Rotatable Bonds
12
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