Molecule

ID:2799

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄N₂O
Molecular Mass
130.18816
Exact Mass
130.11061308
Charge
0
InChI
InChI=1S/C6H14N2O/c7-1-2-8-3-5-9-6-4-8/h1-7H2
InChIKey
RWIVICVCHVMHMU-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCOCC1
Isomeric Smiles
NCCN1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.0029187
LogD (pH = 7.4)
-2.7714622
Log P
-0.8253148
Molar Refractivity
37.0124
Polarizability
14.7968
Polar Surface Area
38.49
Rotatable Bonds
2
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-0.99
LOG S
0.88
Solubility (Water)
9.84e+02 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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