LigandBoxID:KSH2210-00394986-01

SMILES: [Cl]c1ccc(C(C=C(Nc2ccccc2O)C)=O)cc1

2D 3D

SDF file MOL2 file

Compound ID of the source

Kishida2210
KS122-0449607

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C16H14NO2Cl 287.746 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 0 -0.5540 -8.6328
mLOGS mLOGD mLOGPA  
-3.794 2.523 -5.732  

Links to the same SMILES compounds

LIGANDBOX HTS2204-00695111
PUBCHEM 16044789 2881789

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