Molecule

ID:19429

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-15-12-7-5-6-11(10-12)13-8-3-2-4-9-14-13/h5-7,10,13-14H,2-4,8-9H2,1H3
InChIKey
RSJVJDRQAKBTIR-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)C1CCCCCN1
Isomeric Smiles
c1(C2NCCCCC2)cc(OC)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.48286363
LogD (pH = 7.4)
0.31697106
Log P
2.7286253
Molar Refractivity
62.1824
Polarizability
24.712029
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