Molecule

ID:20769

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c1-11-3-4-14(12(2)9-11)16-10-13-5-7-15-8-6-13/h3-4,9,13,15H,5-8,10H2,1-2H3
InChIKey
FRGFABJGAGYUNQ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)OCC1CCNCC1
Isomeric Smiles
c1(c(OCC2CCNCC2)ccc(c1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.2846446
LogD (pH = 7.4)
0.17612618
Log P
2.9467762
Molar Refractivity
67.578
Polarizability
26.404173
Polar Surface Area
21.26
Rotatable Bonds
3
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