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

Formula:C17H13N2OCl5 Mutagenic:high Tumorigenic:low Reproductive Effective:high (E)-3-phenyl-N-[2,2,2-trichloro-1-(3,4-dichloroanilino)ethyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-phenyl-N-[2,2,2-trichloro-1-(3,4-dichloroanilino)ethyl]prop-2-enamide
MolecularFormula	C17H13N2OCl5
Smiles	O=C(/C=C/c1ccccc1)NC(C(Cl)(Cl)Cl)Nc(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C17H13Cl5N2O/c18-13-8-7-12(10-14(13)19)23-16(17(20,21)22)24-15(25)9-6-11-4-2-1-3-5-11/h1-10,16,23H,(H,24,25)/t16-/m1/s1
InChIK	QDQCIPKXNJWKEF-MRXNPFEDSA-N
TotalMolweight	438.568
Molweight	438.568
MonoisotopicMass	435.947048
CLogP	5.4451
CLogS	-6.277
H Acceptors	3
H Donors	2
TotalSurfaceArea	300.2
Relative PSA	0.11979
PolarSurfaceArea	41.13
Druglikeness	0.077353
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	methanediamine
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
Amides	1
StereoCon	racemate

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