Molecule

ID:91197

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c15-11-13-6-4-12(5-7-13)10-14-8-2-1-3-9-14/h4-7,15H,1-3,8-11H2
InChIKey
SQWKPHFBCVNPGU-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(cc1)CN1CCCCC1
Isomeric Smiles
N1(CCCCC1)Cc1ccc(cc1)CO
Calculated Properties
JChem
Acid pKa
15.004934
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2957574
LogD (pH = 7.4)
0.1870221
Log P
1.997659
Molar Refractivity
63.5586
Polarizability
24.648054
Polar Surface Area
23.47
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