Molecule

ID:71025

General Information
Structure
Molecular Formula
C₆H₁₂N₂O
Molecular Mass
128.17228
Exact Mass
128.09496301
Charge
0
InChI
InChI=1S/C6H12N2O/c1-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3
InChIKey
PKDPUENCROCRCH-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCNCC1
Isomeric Smiles
N1(CCNCC1)C(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.3937724
LogD (pH = 7.4)
-1.6797165
Log P
-1.1188645
Molar Refractivity
35.0147
Polarizability
13.794192
Polar Surface Area
32.34
Rotatable Bonds
0
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
References
Bioactivity
Navigation