Molecule

ID:83990

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀ClNO₂
Molecular Mass
139.5807
Exact Mass
139.04000625
Charge
0
InChI
InChI=1S/C4H9NO2.ClH/c1-5-3-4(6)7-2;/h5H,3H2,1-2H3;1H
InChIKey
HQZMRJBVCVYVQA-UHFFFAOYSA-N
Canonic Smiles
CNCC(=O)OC.Cl
Isomeric Smiles
O=C(OC)CNC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5619574
LogD (pH = 7.4)
-0.6150423
Log P
-0.5690011
Molar Refractivity
25.5471
Polarizability
10.418138
Polar Surface Area
38.33
Rotatable Bonds
3
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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