Molecule

ID:89485

General Information
Structure
MolImage
Molecular Formula
C₄H₇ClO₂
Molecular Mass
122.55018
Exact Mass
122.01345714
Charge
0
InChI
InChI=1S/C4H7ClO2/c1-3(5)4(6)7-2/h3H,1-2H3
InChIKey
JLEJCNOTNLZCHQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(Cl)C
Isomeric Smiles
O=C(OC)C(C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.0286564
LogD (pH = 7.4)
1.0286564
Log P
1.0286564
Molar Refractivity
26.6599
Polarizability
10.802506
Polar Surface Area
26.3
Rotatable Bonds
2
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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