[(Z)-[1-[(2,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] benzoate

Formula:C22H14N2O3Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(Z)-[1-[(2,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] benzoate is not a drug-like molecule.

MolName[(Z)-[1-[(2,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] benzoate
MolecularFormulaC22H14N2O3Cl2
SmilesO=C(c1ccccc1)O/N=C(/c(cccc1)c1N1Cc(ccc(Cl)c2)c2Cl)\C1=O
InChIInChI=1S/C22H14Cl2N2O3/c23-16-11-10-15(18(24)12-16)13-26-19-9-5-4-8-17(19)20(21(26)27)25-29-22(28)14-6-2-1-3-7-14/h1-12H,13H2
InChIKFTMUIWYKQQCISJ-UHFFFAOYSA-N
TotalMolweight425.27
Molweight425.27
MonoisotopicMass424.038147
CLogP5.5317
CLogS-6.79
H Acceptors5
TotalSurfaceArea302.65
Relative PSA0.16897
PolarSurfaceArea58.97
Druglikeness1.9724
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.55172
Fragments1
Non HAtoms29
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms2
Amides1
StereoCon

Request More Details | [(Z)-[1-[(2,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] benzoate


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments