Molecule

ID:123312

General Information
Structure
MolImage
Molecular Formula
C₄H₇ClO₂
Molecular Mass
122.55018
Exact Mass
122.01345714
Charge
0
InChI
InChI=1S/C4H7ClO2/c5-3-4-6-1-2-7-4/h4H,1-3H2
InChIKey
IKZOMJGRWIOEDP-UHFFFAOYSA-N
Canonic Smiles
ClCC1OCCO1
Isomeric Smiles
C1(OCCO1)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8964169
LogD (pH = 7.4)
0.8964169
Log P
0.8964169
Molar Refractivity
26.1679
Polarizability
10.701802
Polar Surface Area
18.46
Rotatable Bonds
1
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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