Molecule

ID:106975

General Information
Structure
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Molecular Formula
C₄H₈Cl₂
Molecular Mass
127.01232
Exact Mass
126.00030562
Charge
0
InChI
InChI=1S/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3
InChIKey
RMISVOPUIFJTEO-UHFFFAOYSA-N
Canonic Smiles
CC(C(Cl)C)Cl
Isomeric Smiles
CC(Cl)C(C)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.3336546
LogD (pH = 7.4)
2.3336546
Log P
2.3336546
Molar Refractivity
29.4932
Polarizability
11.7953205
Polar Surface Area
0.0
Rotatable Bonds
1
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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