Molecule
ID:123114
General Information
Molecular Formula
C₇H₁₆N₂O
Molecular Mass
144.21474
Exact Mass
144.12626314
Charge
0
InChI
InChI=1S/C7H16N2O/c1-6(2)9-7(10)4-5-8-3/h6,8H,4-5H2,1-3H3,(H,9,10)
InChIKey
DZGOQFFYNQWCDQ-UHFFFAOYSA-N
Canonic Smiles
CNCCC(=O)NC(C)C
Isomeric Smiles
C(=O)(NC(C)C)CCNC
Calculated Properties
JChem
Acid pKa
16.349949
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.4769456
LogD (pH = 7.4)
-2.4798741
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
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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