Molecule
ID:24414
General Information
Molecular Formula
C₄H₁₁ClN₂O
Molecular Mass
138.59594
Exact Mass
138.05599066
Charge
0
InChI
InChI=1S/C4H10N2O.ClH/c1-6-3-2-4(5)7;/h6H,2-3H2,1H3,(H2,5,7);1H
InChIKey
QETTVXHAPCTHMP-UHFFFAOYSA-N
Canonic Smiles
CNCCC(=O)N.Cl
Isomeric Smiles
C(=O)(CCNC)N.Cl
Calculated Properties
JChem
Acid pKa
16.848654
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.4740458
LogD (pH = 7.4)
-3.4772573
Log P
-1.2848251
Molar Refractivity
27.2996
Polarizability
10.84336
Polar Surface Area
55.12
Rotatable Bonds
3
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
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Related Proteins
No Data Available
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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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