Molecule

ID:120812

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂N₂O₂
Molecular Mass
156.18238
Exact Mass
156.08987763
Charge
0
InChI
InChI=1S/C7H12N2O2/c1-11-7(10)5-9-6-3-2-4-8-6/h2-5H2,1H3,(H,8,9)
InChIKey
BGKOSDWTOGHJPK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CNC1=NCCC1
Isomeric Smiles
N1=C(NCC(=O)OC)CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.0116165
LogD (pH = 7.4)
-2.5142834
Log P
-0.60829437
Molar Refractivity
40.0654
Polarizability
15.569463
Polar Surface Area
50.69
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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