Molecule

ID:70451

General Information
Structure
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Molecular Formula
C₂H₄ClNO
Molecular Mass
93.51226
Exact Mass
92.99814143
Charge
0
InChI
InChI=1S/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5)
InChIKey
VXIVSQZSERGHQP-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CCl
Isomeric Smiles
C(=O)(CCl)N
Calculated Properties
JChem
Acid pKa
12.885121
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.4929445
LogD (pH = 7.4)
-0.49294326
Log P
-0.4929445
Molar Refractivity
19.2191
Polarizability
7.5940623
Polar Surface Area
43.09
Rotatable Bonds
1
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
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Molecule Details
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References
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Bioactivity
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