Molecule
ID:53600
General Information
Molecular Formula
C₅H₉ClN₂O₂
Molecular Mass
164.59016
Exact Mass
164.03525522
Charge
0
InChI
InChI=1S/C5H9ClN2O2/c1-2-4(9)7-8-5(10)3-6/h2-3H2,1H3,(H,7,9)(H,8,10)
InChIKey
PTLXOIUYPYJEPU-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)NNC(=O)CCl
Isomeric Smiles
C(=O)(NNC(=O)CC)CCl
Calculated Properties
JChem
Acid pKa
7.936381
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.3832639
LogD (pH = 7.4)
-0.47858325
Log P
-0.38185805
Molar Refractivity
36.7119
Polarizability
14.35534
Polar Surface Area
58.2
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
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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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