Molecule

ID:13274

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c1-2-6-13-10(4-1)8-12-9-11-5-3-7-14-11/h1-2,4,6,11-12H,3,5,7-9H2
InChIKey
LZSTUWDAHPXEHR-UHFFFAOYSA-N
Canonic Smiles
C1COC(C1)CNCc1ccccn1
Isomeric Smiles
c1cnc(cc1)CNCC1OCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.696961
LogD (pH = 7.4)
0.03686185
Log P
0.81398314
Molar Refractivity
54.8816
Polarizability
21.966154
Polar Surface Area
34.15
Rotatable Bonds
4
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