Molecule
ID:77528
General Information
Molecular Formula
C₁₄H₉ClN₂
Molecular Mass
240.68766
Exact Mass
240.04542598
Charge
0
InChI
InChI=1S/C14H9ClN2/c15-14-12-9-5-4-8-11(12)13(16-17-14)10-6-2-1-3-7-10/h1-9H
InChIKey
WJJDLSHYLZRFDD-UHFFFAOYSA-N
Canonic Smiles
Clc1nnc(c2c1cccc2)c1ccccc1
Isomeric Smiles
n1nc(c2c(c1c1ccccc1)cccc2)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6225662
LogD (pH = 7.4)
3.6225777
Log P
3.6225777
Molar Refractivity
70.8449
Polarizability
29.057537
Polar Surface Area
25.78
Rotatable Bonds
1
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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