Molecule

ID:29545

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₇NO
Molecular Mass
297.43448
Exact Mass
297.20926449
Charge
0
InChI
InChI=1S/C20H27NO/c1-20(2,3)16-21-18-13-7-8-14-19(18)22-15-9-12-17-10-5-4-6-11-17/h4-8,10-11,13-14,21H,9,12,15-16H2,1-3H3
InChIKey
UPWYETYOLSDOKJ-UHFFFAOYSA-N
Canonic Smiles
CC(CNc1ccccc1OCCCc1ccccc1)(C)C
Isomeric Smiles
N(c1c(OCCCc2ccccc2)cccc1)CC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.066008
LogD (pH = 7.4)
5.3628783
Log P
5.3683596
Molar Refractivity
94.8259
Polarizability
36.45809
Polar Surface Area
21.26
Rotatable Bonds
8
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