Molecule

ID:20528

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃Cl₂NO
Molecular Mass
270.15442
Exact Mass
269.0374194
Charge
0
InChI
InChI=1S/C13H12ClNO.ClH/c1-9-7-12(5-6-13(9)15)16-11-4-2-3-10(14)8-11;/h2-8H,15H2,1H3;1H
InChIKey
GBUBPJUUUCBQMX-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)Oc1ccc(c(c1)C)N.Cl
Isomeric Smiles
c1(c(ccc(c1)Oc1cc(Cl)ccc1)N)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.748685
LogD (pH = 7.4)
3.7619019
Log P
3.762073
Molar Refractivity
66.8452
Polarizability
25.422672
Polar Surface Area
35.25
Rotatable Bonds
2
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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