Molecule

ID:37441

General Information
Structure
Molecular Formula
C₇H₁₀N₂O
Molecular Mass
138.1671
Exact Mass
138.07931295
Charge
0
InChI
InChI=1S/C7H10N2O/c1-6-5-7(2)9(8-6)3-4-10/h4-5H,3H2,1-2H3
InChIKey
IQXHMGSFXYBOKQ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(nn1CC=O)C
Isomeric Smiles
n1(nc(cc1C)C)CC=O
Calculated Properties
JChem
Acid pKa
13.340168
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.048791032
LogD (pH = 7.4)
0.051370926
Log P
0.05140442
Molar Refractivity
49.8618
Polarizability
14.424488
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