Molecule
ID:40827
General Information
Molecular Formula
C₁₅H₁₁ClN₂
Molecular Mass
254.71424
Exact Mass
254.06107604
Charge
0
InChI
InChI=1S/C15H11ClN2/c16-15-14(10-11-6-2-1-3-7-11)17-12-8-4-5-9-13(12)18-15/h1-9H,10H2
InChIKey
WOXFHFKGZGPZBI-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2ccccc2nc1Cc1ccccc1
Isomeric Smiles
n1c(c(nc2c1cccc2)Cc1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0890055
LogD (pH = 7.4)
4.0890102
Log P
4.0890102
Molar Refractivity
72.6299
Polarizability
29.387526
Polar Surface Area
25.78
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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