Molecule

ID:71599

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O
Molecular Mass
126.1564
Exact Mass
126.07931295
Charge
0
InChI
InChI=1S/C6H10N2O/c9-6-2-5-8-4-1-3-7-8/h1,3-4,9H,2,5-6H2
InChIKey
PMKIEDXXIYUBKC-UHFFFAOYSA-N
Canonic Smiles
OCCCn1cccn1
Isomeric Smiles
n1n(ccc1)CCCO
Calculated Properties
JChem
Acid pKa
15.920109
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.2291724
LogD (pH = 7.4)
-0.22903812
Log P
-0.2290364
Molar Refractivity
46.1191
Polarizability
13.209673
Polar Surface Area
38.05
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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