Molecule

ID:125060

General Information
Structure
MolImage
Molecular Formula
C₄H₉Cl₂NO₂
Molecular Mass
174.02576
Exact Mass
173.00103389
Charge
0
InChI
InChI=1S/C4H8ClNO2.ClH/c1-8-4(7)3(6)2-5;/h3H,2,6H2,1H3;1H/t3-;/m1./s1
InChIKey
POPBCSXDEXRDSX-AENDTGMFSA-N
Canonic Smiles
COC(=O)[C@@H](CCl)N.Cl
Isomeric Smiles
COC(=O)[C@@H](CCl)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1049975
LogD (pH = 7.4)
-0.16985063
Log P
-0.12513536
Molar Refractivity
29.8611
Polarizability
12.323856
Polar Surface Area
52.32
Rotatable Bonds
3
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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