Molecule

ID:28926

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₇NO
Molecular Mass
297.43448
Exact Mass
297.20926449
Charge
0
InChI
InChI=1S/C20H27NO/c1-15(2)9-10-22-20-8-6-5-7-18(20)14-21-19-12-16(3)11-17(4)13-19/h5-8,11-13,15,21H,9-10,14H2,1-4H3
InChIKey
HCKNGDCQPLEZQG-UHFFFAOYSA-N
Canonic Smiles
CC(CCOc1ccccc1CNc1cc(C)cc(c1)C)C
Isomeric Smiles
c1(CNc2cc(cc(c2)C)C)c(OCCC(C)C)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.6356063
LogD (pH = 7.4)
5.650395
Log P
5.6505866
Molar Refractivity
95.8322
Polarizability
36.372234
Polar Surface Area
21.26
Rotatable Bonds
7
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