3-(4-chlorophenyl)-1-[(2,6-dichlorophenyl)methoxy]-1-[(Z)-(2,6-dichlorophenyl)methoxyiminomethyl]urea

Formula:C22H16N3O3Cl5 Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-(4-chlorophenyl)-1-[(2,6-dichlorophenyl)methoxy]-1-[(Z)-(2,6-dichlorophenyl)methoxyiminomethyl]urea is not a drug-like molecule.

MolName3-(4-chlorophenyl)-1-[(2,6-dichlorophenyl)methoxy]-1-[(Z)-(2,6-dichlorophenyl)methoxyiminomethyl]urea
MolecularFormulaC22H16N3O3Cl5
SmilesO=C(Nc(cc1)ccc1Cl)N(/C=N\OCc(c(Cl)ccc1)c1Cl)OCc(c(Cl)ccc1)c1Cl
InChIInChI=1S/C22H16Cl5N3O3/c23-14-7-9-15(10-8-14)29-22(31)30(33-12-17-20(26)5-2-6-21(17)27)13-28-32-11-16-18(24)3-1-4-19(16)25/h1-10,13H,11-12H2,(H,29,31)
InChIKYYBRZVZQGIXHDG-UHFFFAOYSA-N
TotalMolweight547.652
Molweight547.652
MonoisotopicMass544.963427
CLogP7.2413
CLogS-9.075
H Acceptors6
H Donors1
TotalSurfaceArea381.67
Relative PSA0.15605
PolarSurfaceArea63.16
Druglikeness2.0225
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.48485
Fragments1
Non HAtoms33
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond7
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms4
Symmetricatoms8
Amides1
StereoCon

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