Molecule

ID:27113

General Information
Structure
MolImage
Molecular Formula
C₅H₈Cl₂N₂O
Molecular Mass
183.03582
Exact Mass
182.00136825
Charge
0
InChI
InChI=1S/C5H8Cl2N2O/c1-4(3(10)9-8)2-5(4,6)7/h2,8H2,1H3,(H,9,10)
InChIKey
PUWQATHJGVISLC-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C1(C)CC1(Cl)Cl
Isomeric Smiles
C1(C(C1)(Cl)Cl)(C(=O)NN)C
Calculated Properties
JChem
Acid pKa
10.612463
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.74489945
LogD (pH = 7.4)
0.7470863
Log P
0.747366
Molar Refractivity
41.0186
Polarizability
15.689037
Polar Surface Area
55.12
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
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Molecule Details
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References
Bioactivity
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