Molecule

ID:29538

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO
Molecular Mass
269.38132
Exact Mass
269.17796436
Charge
0
InChI
InChI=1S/C18H23NO/c1-13-5-9-18(10-6-13)20-16(4)12-19-17-8-7-14(2)15(3)11-17/h5-11,16,19H,12H2,1-4H3
InChIKey
DVRWNMGORMMEKO-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)C)CNc1ccc(c(c1)C)C
Isomeric Smiles
c1(c(ccc(c1)NCC(Oc1ccc(cc1)C)C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.981556
LogD (pH = 7.4)
5.0460253
Log P
5.0469127
Molar Refractivity
86.3464
Polarizability
32.601765
Polar Surface Area
21.26
Rotatable Bonds
5
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