Molecule

ID:76106

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃Cl₂NO
Molecular Mass
270.15442
Exact Mass
269.0374194
Charge
0
InChI
InChI=1S/C13H12ClNO.ClH/c14-11-4-6-12(7-5-11)16-13-3-1-2-10(8-13)9-15;/h1-8H,9,15H2;1H
InChIKey
VFEWZXLNJNKEEV-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)Oc1ccc(cc1)Cl.Cl
Isomeric Smiles
O(c1cc(ccc1)CN)c1ccc(cc1)Cl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.22675297
LogD (pH = 7.4)
1.246895
Log P
3.203346
Molar Refractivity
65.577
Polarizability
25.87783
Polar Surface Area
35.25
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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