Molecule

ID:43960

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀Cl₃NO₂
Molecular Mass
270.5402
Exact Mass
268.97771161
Charge
0
InChI
InChI=1S/C9H9Cl2NO2.ClH/c1-14-9(13)8(12)5-2-3-6(10)7(11)4-5;/h2-4,8H,12H2,1H3;1H
InChIKey
SRIJGMLHUNVNAI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(c1ccc(c(c1)Cl)Cl)N.Cl
Isomeric Smiles
c1(C(C(=O)OC)N)ccc(c(c1)Cl)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0542397
LogD (pH = 7.4)
2.0847743
Log P
2.1429372
Molar Refractivity
54.74
Polarizability
21.978607
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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