Molecule

ID:63876

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂N₂O
Molecular Mass
116.16158
Exact Mass
116.09496301
Charge
0
InChI
InChI=1S/C5H12N2O/c6-3-5-4-7-1-2-8-5/h5,7H,1-4,6H2
InChIKey
OXYALYJRWGRVAM-UHFFFAOYSA-N
Canonic Smiles
NCC1CNCCO1
Isomeric Smiles
C1(CNCCO1)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-5.9824257
LogD (pH = 7.4)
-3.471793
Log P
-1.1485957
Molar Refractivity
31.3879
Polarizability
12.9564
Polar Surface Area
47.28
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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