Molecule

ID:77896

General Information
Structure
MolImage
Molecular Formula
C₄H₇Cl
Molecular Mass
90.55138
Exact Mass
90.0236279
Charge
0
InChI
InChI=1S/C4H7Cl/c1-4(2)3-5/h3H,1-2H3
InChIKey
KWISWUFGPUHDRY-UHFFFAOYSA-N
Canonic Smiles
ClC=C(C)C
Isomeric Smiles
ClC=C(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.0540028
LogD (pH = 7.4)
2.0540028
Log P
2.0540028
Molar Refractivity
24.7329
Polarizability
9.678728
Polar Surface Area
0.0
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
No Data Available
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Molecule Details
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References
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Bioactivity
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