Molecule

ID:29211

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₇NO
Molecular Mass
297.43448
Exact Mass
297.20926449
Charge
0
InChI
InChI=1S/C20H27NO/c1-5-17-9-7-8-16(4)20(17)21-14-18(6-2)22-19-12-10-15(3)11-13-19/h7-13,18,21H,5-6,14H2,1-4H3
InChIKey
UZHQIZJZRPBQNU-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1ccc(cc1)C)CNc1c(C)cccc1CC
Isomeric Smiles
N(c1c(cccc1CC)C)CC(Oc1ccc(cc1)C)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.0000877
LogD (pH = 7.4)
6.013826
Log P
6.0140038
Molar Refractivity
95.4714
Polarizability
36.295147
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