Molecule

ID:29418

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₉NO₂
Molecular Mass
375.50326
Exact Mass
375.21982917
Charge
0
InChI
InChI=1S/C25H29NO2/c1-20(2)19-28-25-15-9-7-13-23(25)26-18-22-12-6-8-14-24(22)27-17-16-21-10-4-3-5-11-21/h3-15,20,26H,16-19H2,1-2H3
InChIKey
HPJKRAGKAMGVIR-UHFFFAOYSA-N
Canonic Smiles
CC(COc1ccccc1NCc1ccccc1OCCc1ccccc1)C
Isomeric Smiles
N(Cc1c(OCCc2ccccc2)cccc1)c1c(OCC(C)C)cccc1
Calculated Properties
JChem
Acid pKa
18.817984
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.0933905
LogD (pH = 7.4)
6.1123447
Log P
6.112592
Molar Refractivity
116.9026
Polarizability
44.87592
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