Molecule

ID:29005

General Information
Structure
Molecular Formula
C₂₀H₃₅NO
Molecular Mass
305.498
Exact Mass
305.27186475
Charge
0
InChI
InChI=1S/C20H35NO/c1-18(2,3)15-10-11-17(16(14-15)19(4,5)6)22-13-12-21-20(7,8)9/h10-11,14,21H,12-13H2,1-9H3
InChIKey
DMVXVFGSAMCLRL-UHFFFAOYSA-N
Canonic Smiles
CC(NCCOc1ccc(cc1C(C)(C)C)C(C)(C)C)(C)C
Isomeric Smiles
c1(cc(C(C)(C)C)ccc1OCCNC(C)(C)C)C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3903146
LogD (pH = 7.4)
3.2592437
Log P
5.5952435
Molar Refractivity
96.383
Polarizability
38.217728
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