Molecule

ID:14650

General Information
Structure
MolImage
Molecular Formula
C₄H₉Cl₂N
Molecular Mass
142.02696
Exact Mass
141.01120465
Charge
0
InChI
InChI=1S/C4H8ClN.ClH/c1-4(5)2-3-6;/h2H,3,6H2,1H3;1H/b4-2-;
InChIKey
FNXILSDJRCHUDK-MKHFZPSSSA-N
Canonic Smiles
C/C(=C/CN)/Cl.Cl
Isomeric Smiles
C(=C(\C)/Cl)/CN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.5029027
LogD (pH = 7.4)
-1.6567533
Log P
0.49532786
Molar Refractivity
29.7022
Polarizability
11.208769
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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