Molecule

ID:37543

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c14-11-5-3-1-2-4-10(11)8-13-7-6-12-9-13/h6-7,9-10H,1-5,8H2
InChIKey
WYLQXPPYMXYHKB-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCCCC1Cn1ccnc1
Isomeric Smiles
c1nccn1CC1CCCCCC1=O
Calculated Properties
JChem
Acid pKa
19.510693
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2597619
LogD (pH = 7.4)
1.724026
Log P
1.792007
Molar Refractivity
54.8458
Polarizability
21.216343
Polar Surface Area
34.89
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