Molecule

ID:22363

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂N₂O
Molecular Mass
152.19368
Exact Mass
152.09496301
Charge
0
InChI
InChI=1S/C8H12N2O/c1-2-8(11-5-1)7-6-9-3-4-10-7/h1-2,5,7,9-10H,3-4,6H2
InChIKey
LOKVZWIGUJYFLY-UHFFFAOYSA-N
Canonic Smiles
C1CNC(CN1)c1ccco1
Isomeric Smiles
c1cc(oc1)C1CNCCN1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.661118
LogD (pH = 7.4)
-0.96939945
Log P
0.11568
Molar Refractivity
42.1225
Polarizability
16.876715
Polar Surface Area
37.2
Rotatable Bonds
1
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