Molecule

ID:118850

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃ClN₂
Molecular Mass
268.74082
Exact Mass
268.07672611
Charge
0
InChI
InChI=1S/C16H13ClN2/c1-10-7-8-12(9-11(10)2)15-13-5-3-4-6-14(13)16(17)19-18-15/h3-9H,1-2H3
InChIKey
GYYXXMBDNZTEND-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1C)c1nnc(c2c1cccc2)Cl
Isomeric Smiles
n1c(c2c(c(n1)Cl)cccc2)c1cc(c(cc1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.649407
LogD (pH = 7.4)
4.6494203
Log P
4.6494207
Molar Refractivity
80.9273
Polarizability
32.585354
Polar Surface Area
25.78
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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