Molecule

ID:120518

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂N₂O
Molecular Mass
140.18298
Exact Mass
140.09496301
Charge
0
InChI
InChI=1S/C7H12N2O/c1-5(2)9-7(10)4-6(3)8-9/h5H,4H2,1-3H3
InChIKey
IJVWPGWWDFXPOO-UHFFFAOYSA-N
Canonic Smiles
CC1=NN(C(=O)C1)C(C)C
Isomeric Smiles
N1(C(=O)CC(=N1)C)C(C)C
Calculated Properties
JChem
Acid pKa
12.824001
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.6420608
LogD (pH = 7.4)
0.6421227
Log P
0.6421251
Molar Refractivity
38.8823
Polarizability
14.840592
Polar Surface Area
32.67
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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