Molecule

ID:58206

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂N₂O
Molecular Mass
152.19368
Exact Mass
152.09496301
Charge
0
InChI
InChI=1S/C8H12N2O/c1-6(2)10-4-8(5-11)7(3)9-10/h4-6H,1-3H3
InChIKey
BHBXFMBLZVNXDT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(nc1C)C(C)C
Isomeric Smiles
n1(cc(c(n1)C)C=O)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.018167
LogD (pH = 7.4)
1.018359
Log P
1.0183613
Molar Refractivity
55.3043
Polarizability
16.246662
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