Molecule

ID:19470

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c1-11-10-12(7-8-14(11)16-2)13-6-4-3-5-9-15-13/h7-8,10,13,15H,3-6,9H2,1-2H3
InChIKey
RJUOODMAZIKLOR-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1C)C1CCCCCN1
Isomeric Smiles
c1(cc(c(cc1)OC)C)C1NCCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.024041116
LogD (pH = 7.4)
0.74076295
Log P
3.2420466
Molar Refractivity
67.2236
Polarizability
26.479254
Polar Surface Area
21.26
Rotatable Bonds
2
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