Molecule

ID:63257

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂O
Molecular Mass
142.19886
Exact Mass
142.11061308
Charge
0
InChI
InChI=1S/C7H14N2O/c1-9-3-2-6(5-8)4-7(9)10/h6H,2-5,8H2,1H3
InChIKey
MKWVHTNYTUGQGA-UHFFFAOYSA-N
Canonic Smiles
NCC1CCN(C(=O)C1)C
Isomeric Smiles
C1(=O)CC(CN)CCN1C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.1086473
LogD (pH = 7.4)
-3.5577428
Log P
-1.0899521
Molar Refractivity
39.8134
Polarizability
15.631624
Polar Surface Area
46.33
Rotatable Bonds
1
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