Molecule

ID:61655

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃Cl₂NO₂
Molecular Mass
250.12172
Exact Mass
249.03233402
Charge
0
InChI
InChI=1S/C10H12ClNO2.ClH/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7;/h2-5,9H,6,12H2,1H3;1H
InChIKey
CKHLTQXMMBPPQU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(c1ccc(cc1)Cl)N.Cl
Isomeric Smiles
C(C(=O)OC)C(c1ccc(cc1)Cl)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2148393
LogD (pH = 7.4)
0.23523802
Log P
1.6237161
Molar Refractivity
54.5595
Polarizability
21.858793
Polar Surface Area
52.32
Rotatable Bonds
4
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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