Molecule

ID:28720

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₇NO₂
Molecular Mass
313.43388
Exact Mass
313.20417911
Charge
0
InChI
InChI=1S/C20H27NO2/c1-4-5-13-22-20-12-7-6-9-17(20)15-21-18-10-8-11-19(14-18)23-16(2)3/h6-12,14,16,21H,4-5,13,15H2,1-3H3
InChIKey
IRGKNZONXFTTAV-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccccc1CNc1cccc(c1)OC(C)C
Isomeric Smiles
c1(CNc2cc(OC(C)C)ccc2)c(OCCCC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.9492083
LogD (pH = 7.4)
4.952396
Log P
4.9524364
Molar Refractivity
96.8318
Polarizability
37.17117
Polar Surface Area
30.49
Rotatable Bonds
9
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