Molecule

ID:24500

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂O
Molecular Mass
158.24132
Exact Mass
158.14191321
Charge
0
InChI
InChI=1S/C8H18N2O/c1-4-7(2)10-6-5-8(11)9-3/h7,10H,4-6H2,1-3H3,(H,9,11)
InChIKey
MCLWFHNCWWQPSP-UHFFFAOYSA-N
Canonic Smiles
CCC(NCCC(=O)NC)C
Isomeric Smiles
C(=O)(CCNC(CC)C)NC
Calculated Properties
JChem
Acid pKa
16.606033
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.9811027
LogD (pH = 7.4)
-2.2350538
Log P
0.2347564
Molar Refractivity
45.8877
Polarizability
18.198185
Polar Surface Area
41.13
Rotatable Bonds
5
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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