Molecule
ID:124019
General Information
Molecular Formula
C₁₅H₁₁ClN₂
Molecular Mass
254.71424
Exact Mass
254.06107604
Charge
0
InChI
InChI=1S/C15H11ClN2/c16-15-17-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10H,(H,17,18)
InChIKey
OFVYWCNMQQRVAJ-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(c([nH]1)c1ccccc1)c1ccccc1
Isomeric Smiles
c1(c([nH]c(n1)Cl)c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
9.961716
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.3675485
LogD (pH = 7.4)
4.368029
Log P
4.3690925
Molar Refractivity
73.8166
Polarizability
31.101215
Polar Surface Area
28.68
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
No Data Available
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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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