Molecule
ID:57628
General Information
Molecular Formula
C₇H₁₀N₂O
Molecular Mass
138.1671
Exact Mass
138.07931295
Charge
0
InChI
InChI=1S/C7H10N2O/c1-3-9-7(6(2)10)4-5-8-9/h4-5H,3H2,1-2H3
InChIKey
PUPCYOHVYDUGSY-UHFFFAOYSA-N
Canonic Smiles
CCn1nccc1C(=O)C
Isomeric Smiles
n1(c(ccn1)C(=O)C)CC
Calculated Properties
JChem
Acid pKa
16.000559
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.23554932
LogD (pH = 7.4)
0.23556231
Log P
0.23556247
Molar Refractivity
49.9903
Polarizability
14.489812
Polar Surface Area
34.89
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...