Molecule

ID:19540

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃Cl₂NO
Molecular Mass
270.15442
Exact Mass
269.0374194
Charge
0
InChI
InChI=1S/C13H12ClNO.ClH/c1-9-8-10(6-7-11(9)14)16-13-5-3-2-4-12(13)15;/h2-8H,15H2,1H3;1H
InChIKey
FYYXFZYWTCTRHL-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1Oc1ccc(c(c1)C)Cl.Cl
Isomeric Smiles
O(c1c(N)cccc1)c1ccc(c(c1)C)Cl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.7609875
LogD (pH = 7.4)
3.7620595
Log P
3.762073
Molar Refractivity
66.8452
Polarizability
25.416079
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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