Molecule

ID:83976

General Information
Structure
MolImage
Molecular Formula
C₃H₆ClNO
Molecular Mass
107.53884
Exact Mass
107.0137915
Charge
0
InChI
InChI=1S/C3H6ClNO/c4-2-1-3(5)6/h1-2H2,(H2,5,6)
InChIKey
JQDXZJYAUSVHDH-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CCCl
Isomeric Smiles
O=C(CCCl)N
Calculated Properties
JChem
Acid pKa
14.244313
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.2559318
LogD (pH = 7.4)
-0.25593174
Log P
-0.2559318
Molar Refractivity
23.9185
Polarizability
9.391744
Polar Surface Area
43.09
Rotatable Bonds
2
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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