(E)-3-phenyl-N-[2,2,2-trichloro-1-(4-phenyldiazenylanilino)ethyl]prop-2-enamide

Formula:C23H19N4OCl3 Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-3-phenyl-N-[2,2,2-trichloro-1-(4-phenyldiazenylanilino)ethyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-phenyl-N-[2,2,2-trichloro-1-(4-phenyldiazenylanilino)ethyl]prop-2-enamide
MolecularFormula	C23H19N4OCl3
Smiles	O=C(/C=C/c1ccccc1)NC(C(Cl)(Cl)Cl)Nc(cc1)ccc1/N=N/c1ccccc1
InChI	InChI=1S/C23H19Cl3N4O/c24-23(25,26)22(28-21(31)16-11-17-7-3-1-4-8-17)27-18-12-14-20(15-13-18)30-29-19-9-5-2-6-10-19/h1-16,22,27H,(H,28,31)/t22-/m1/s1
InChIK	YILBAQDXYGUBKJ-JOCHJYFZSA-N
TotalMolweight	473.79
Molweight	473.79
MonoisotopicMass	472.062442
CLogP	6.4353
CLogS	-7.297
H Acceptors	5
H Donors	2
TotalSurfaceArea	352.14
Relative PSA	0.16749
PolarSurfaceArea	65.85
Druglikeness	-4.4726
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	azo; methanediamine
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	8
Amides	1
StereoCon	racemate

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