Molecule

ID:9832

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂O
Molecular Mass
154.20956
Exact Mass
154.11061308
Charge
0
InChI
InChI=1S/C8H14N2O/c1-8(2,3)6-5-7(11)10(4)9-6/h5H2,1-4H3
InChIKey
QTLHXZDNJCSMMQ-UHFFFAOYSA-N
Canonic Smiles
O=C1CC(=NN1C)C(C)(C)C
Isomeric Smiles
C1(=NN(C(=O)C1)C)C(C)(C)C
Calculated Properties
JChem
Acid pKa
12.445104
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.668231
LogD (pH = 7.4)
1.668274
Log P
1.6682786
Molar Refractivity
43.4173
Polarizability
16.676847
Polar Surface Area
32.67
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