Molecule
ID:21501
General Information
Molecular Formula
C₄H₁₁ClN₂O₂
Molecular Mass
154.59534
Exact Mass
154.05090528
Charge
0
InChI
InChI=1S/C4H10N2O2.ClH/c1-2-8-3-4(7)6-5;/h2-3,5H2,1H3,(H,6,7);1H
InChIKey
QJHKFYAAHZNVJB-UHFFFAOYSA-N
Canonic Smiles
CCOCC(=O)NN.Cl
Isomeric Smiles
C(=O)(NN)COCC.Cl
Calculated Properties
JChem
Acid pKa
12.587734
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.1463277
LogD (pH = 7.4)
-1.1441088
Log P
-1.1440777
Molar Refractivity
30.152
Polarizability
11.485321
Polar Surface Area
64.35
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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