Molecule

ID:82467

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇Cl₂N₃
Molecular Mass
252.09938
Exact Mass
251.0017026
Charge
0
InChI
InChI=1S/C11H7Cl2N3/c12-10-11(13)16(7-15-10)6-9-3-1-8(5-14)2-4-9/h1-4,7H,6H2
InChIKey
BXDCSWQIQMYCSW-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)Cn1cnc(c1Cl)Cl
Isomeric Smiles
n1(c(c(Cl)nc1)Cl)Cc1ccc(cc1)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.800793
LogD (pH = 7.4)
2.8022795
Log P
2.8022983
Molar Refractivity
64.9157
Polarizability
24.242067
Polar Surface Area
41.61
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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