Molecule
ID:72251
General Information
Molecular Formula
C₄H₈ClNO
Molecular Mass
121.56542
Exact Mass
121.02944156
Charge
0
InChI
InChI=1S/C4H8ClNO/c5-3-1-2-4(6)7/h1-3H2,(H2,6,7)
InChIKey
XYOXIERJKILWCG-UHFFFAOYSA-N
Canonic Smiles
ClCCCC(=O)N
Isomeric Smiles
C(=O)(N)CCCCl
Calculated Properties
JChem
Acid pKa
15.040135
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.032729387
LogD (pH = 7.4)
0.032729432
Log P
0.032729425
Molar Refractivity
28.6735
Polarizability
11.203389
Polar Surface Area
43.09
Rotatable Bonds
3
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
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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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