Molecule

ID:28974

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃Cl₂N
Molecular Mass
266.16572
Exact Mass
265.04250478
Charge
0
InChI
InChI=1S/C14H13Cl2N/c1-10-4-2-3-5-11(10)9-17-14-7-6-12(15)8-13(14)16/h2-8,17H,9H2,1H3
InChIKey
YSLMYBHYWHZBAN-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)NCc1ccccc1C
Isomeric Smiles
c1(cc(ccc1NCc1c(C)cccc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
17.580505
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.8916183
LogD (pH = 7.4)
4.892003
Log P
4.892008
Molar Refractivity
75.5152
Polarizability
28.385174
Polar Surface Area
12.03
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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