Molecule

ID:18932

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₁Cl₂N₃
Molecular Mass
340.20604
Exact Mass
339.03300273
Charge
0
InChI
InChI=1S/C18H11Cl2N3/c19-14-8-6-13(7-9-14)16-11-18-21-15(10-17(20)23(18)22-16)12-4-2-1-3-5-12/h1-11H
InChIKey
YPHABIMODRQRNI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1nn2c(c1)nc(cc2Cl)c1ccccc1
Isomeric Smiles
n12c(nc(cc2Cl)c2ccccc2)cc(n1)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.6422005
LogD (pH = 7.4)
5.642224
Log P
5.642224
Molar Refractivity
102.9127
Polarizability
38.09092
Polar Surface Area
30.19
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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