Molecule

ID:18930

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁Cl₂N₃
Molecular Mass
292.16324
Exact Mass
291.03300273
Charge
0
InChI
InChI=1S/C14H11Cl2N3/c1-8-9(2)17-13-7-12(18-19(13)14(8)16)10-4-3-5-11(15)6-10/h3-7H,1-2H3
InChIKey
DGIZSUGHDHQEFO-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)c1cc2n(n1)c(Cl)c(c(n2)C)C
Isomeric Smiles
n12c(nc(c(c1Cl)C)C)cc(n2)c1cc(Cl)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2539153
LogD (pH = 7.4)
4.2539396
Log P
4.25394
Molar Refractivity
87.7812
Polarizability
30.634409
Polar Surface Area
30.19
Rotatable Bonds
1
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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