Molecule

ID:34312

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀Cl₂N₂
Molecular Mass
253.1272
Exact Mass
252.02210369
Charge
0
InChI
InChI=1S/C12H10Cl2N2/c13-11-5-7(15)1-3-9(11)10-4-2-8(16)6-12(10)14/h1-6H,15-16H2
InChIKey
XKXPBJBODVHDAW-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)Cl)c1ccc(cc1Cl)N
Isomeric Smiles
c1(c(ccc(c1)N)c1ccc(cc1Cl)N)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.1645646
LogD (pH = 7.4)
3.170631
Log P
3.1707087
Molar Refractivity
70.2046
Polarizability
27.28787
Polar Surface Area
52.04
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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