Molecule

ID:27103

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂
Molecular Mass
208.25694
Exact Mass
208.12117776
Charge
0
InChI
InChI=1S/C11H16N2O2/c1-8(2)7-15-10-5-3-4-9(6-10)11(14)13-12/h3-6,8H,7,12H2,1-2H3,(H,13,14)
InChIKey
QBMFDOXZJFUFHR-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cccc(c1)OCC(C)C
Isomeric Smiles
C(=O)(c1cc(OCC(C)C)ccc1)NN
Calculated Properties
JChem
Acid pKa
14.0405445
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.6131924
LogD (pH = 7.4)
1.6140316
Log P
1.6140423
Molar Refractivity
59.8279
Polarizability
22.627663
Polar Surface Area
64.35
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