Molecule

ID:63166

General Information
Structure
Molecular Formula
C₄H₈ClNO
Molecular Mass
121.56542
Exact Mass
121.02944156
Charge
0
InChI
InChI=1S/C4H7NO.ClH/c5-3-1-4(6)2-3;/h3H,1-2,5H2;1H
InChIKey
NEQHFBUOBOTJDV-UHFFFAOYSA-N
Canonic Smiles
NC1CC(=O)C1.Cl
Isomeric Smiles
Cl.C1(=O)CC(C1)N
Calculated Properties
JChem
Acid pKa
17.291306
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.5701585
LogD (pH = 7.4)
-2.62724
Log P
-0.58272845
Molar Refractivity
22.0644
Polarizability
8.974372
Polar Surface Area
43.09
Rotatable Bonds
0
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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