Molecule

ID:76842

General Information
Structure
MolImage
Molecular Formula
C₅H₇Cl
Molecular Mass
102.56208
Exact Mass
102.0236279
Charge
0
InChI
InChI=1S/C5H7Cl/c1-4-5(2,3)6/h1H,2-3H3
InChIKey
QSILYWCNPOLKPN-UHFFFAOYSA-N
Canonic Smiles
C#CC(Cl)(C)C
Isomeric Smiles
ClC(C#C)(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.7612495
LogD (pH = 7.4)
1.7612495
Log P
1.7612495
Molar Refractivity
27.9495
Polarizability
10.666419
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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