Molecule
ID:24721
General Information
Molecular Formula
C₄H₉ClN₂O
Molecular Mass
136.58006
Exact Mass
136.0403406
Charge
0
InChI
InChI=1S/C4H8N2O.ClH/c5-3-1-2-6-4(3)7;/h3H,1-2,5H2,(H,6,7);1H
InChIKey
QRKDBIIHVIKHJQ-UHFFFAOYSA-N
Canonic Smiles
O=C1NCCC1N.Cl
Isomeric Smiles
C1(=O)NCCC1N.Cl
Calculated Properties
JChem
Acid pKa
14.424175
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.2925467
LogD (pH = 7.4)
-2.6696272
Log P
-1.6303511
Molar Refractivity
25.364
Polarizability
10.127871
Polar Surface Area
55.12
Rotatable Bonds
0
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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