Molecule

ID:89867

General Information
Structure
MolImage
Molecular Formula
C₄H₈ClNO
Molecular Mass
121.56542
Exact Mass
121.02944156
Charge
0
InChI
InChI=1S/C4H8ClNO/c1-4(7)6-3-2-5/h2-3H2,1H3,(H,6,7)
InChIKey
HSKNJSHFPPHTAQ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NCCCl
Isomeric Smiles
N(C(=O)C)CCCl
Calculated Properties
JChem
Acid pKa
14.477524
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.14212245
LogD (pH = 7.4)
-0.14212245
Log P
-0.14212242
Molar Refractivity
28.7059
Polarizability
11.20375
Polar Surface Area
29.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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