Molecule
ID:25792
General Information
Molecular Formula
C₉H₁₂N₂O
Molecular Mass
164.20438
Exact Mass
164.09496301
Charge
0
InChI
InChI=1S/C9H12N2O/c1-6-3-7(2)5-8(4-6)9(12)11-10/h3-5H,10H2,1-2H3,(H,11,12)
InChIKey
JAXXNYJSWNHITI-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cc(C)cc(c1)C
Isomeric Smiles
c1(C(=O)NN)cc(cc(c1)C)C
Calculated Properties
JChem
Acid pKa
14.601561
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5533415
LogD (pH = 7.4)
1.5542417
Log P
1.5542532
Molar Refractivity
49.7029
Polarizability
18.111237
Polar Surface Area
55.12
Rotatable Bonds
1
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...