Molecule

ID:24462

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆N₂O
Molecular Mass
144.21474
Exact Mass
144.12626314
Charge
0
InChI
InChI=1S/C7H16N2O/c1-6(2)9-5-4-7(10)8-3/h6,9H,4-5H2,1-3H3,(H,8,10)
InChIKey
XRNMWDXTWCXBDU-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)CCNC(C)C
Isomeric Smiles
C(=O)(CCNC(C)C)NC
Calculated Properties
JChem
Acid pKa
16.571604
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.493315
LogD (pH = 7.4)
-2.630423
Log P
-0.287766
Molar Refractivity
41.3637
Polarizability
16.35698
Polar Surface Area
41.13
Rotatable Bonds
4
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
No Data Available
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Molecule Details
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References
Bioactivity
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