Molecule

ID:41529

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁ClN₂O
Molecular Mass
270.71364
Exact Mass
270.05599066
Charge
0
InChI
InChI=1S/C15H11ClN2O/c16-15-6-5-11(7-17-15)8-18-9-12(10-19)13-3-1-2-4-14(13)18/h1-7,9-10H,8H2
InChIKey
JGASNBSYPGOSFV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cccc2)Cc1ccc(nc1)Cl
Isomeric Smiles
n1(cc(c2c1cccc2)C=O)Cc1cnc(Cl)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3391876
LogD (pH = 7.4)
3.3392086
Log P
3.3392088
Molar Refractivity
76.947
Polarizability
29.816324
Polar Surface Area
34.89
Rotatable Bonds
3
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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