Molecule

ID:63252

General Information
Structure
MolImage
Molecular Formula
C₄H₈ClNO
Molecular Mass
121.56542
Exact Mass
121.02944156
Charge
0
InChI
InChI=1S/C4H7NO.ClH/c6-4-1-2-5-3-4;/h5H,1-3H2;1H
InChIKey
DPSTYIOIVSHZRI-UHFFFAOYSA-N
Canonic Smiles
O=C1CNCC1.Cl
Isomeric Smiles
Cl.C1(=O)CCNC1
Calculated Properties
JChem
Acid pKa
17.080202
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7609324
LogD (pH = 7.4)
-1.0402718
Log P
-0.44692788
Molar Refractivity
22.4694
Polarizability
8.974372
Polar Surface Area
29.1
Rotatable Bonds
0
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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