Molecule

ID:74391

General Information
Structure
MolImage
Molecular Formula
C₃H₇ClO
Molecular Mass
94.54008
Exact Mass
94.01854252
Charge
0
InChI
InChI=1S/C3H7ClO/c4-2-1-3-5/h5H,1-3H2
InChIKey
LAMUXTNQCICZQX-UHFFFAOYSA-N
Canonic Smiles
OCCCCl
Isomeric Smiles
OCCCCl
Calculated Properties
JChem
Acid pKa
15.934597
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.20587252
LogD (pH = 7.4)
0.2058725
Log P
0.20587252
Molar Refractivity
22.47
Polarizability
8.753928
Polar Surface Area
20.23
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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