Molecule

ID:35130

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O
Molecular Mass
126.1564
Exact Mass
126.07931295
Charge
0
InChI
InChI=1S/C6H10N2O/c1-6(9)8(2)5-3-4-7/h3,5H2,1-2H3
InChIKey
XVWNWBDQUDOFRY-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)C)CCC#N
Isomeric Smiles
N#CCCN(C(=O)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.80999154
LogD (pH = 7.4)
-0.8099913
Log P
-0.8099913
Molar Refractivity
34.0226
Polarizability
12.856862
Polar Surface Area
44.1
Rotatable Bonds
2
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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