(E)-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide

Formula:C23H19N2O2Cl3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
MolecularFormula	C23H19N2O2Cl3
Smiles	O=C(/C=C/c1ccc(-c(ccc(Cl)c2)c2Cl)o1)Nc(cccc1Cl)c1N1CCCC1
InChI	InChI=1S/C23H19Cl3N2O2/c24-15-6-9-17(19(26)14-15)21-10-7-16(30-21)8-11-22(29)27-20-5-3-4-18(25)23(20)28-12-1-2-13-28/h3-11,14H,1-2,12-13H2,(H,27,29)
InChIK	KWQYTBNQKAYYRR-UHFFFAOYSA-N
TotalMolweight	461.775
Molweight	461.775
MonoisotopicMass	460.051209
CLogP	6.3842
CLogS	-7.888
H Acceptors	4
H Donors	1
TotalSurfaceArea	336.28
Relative PSA	0.12537
PolarSurfaceArea	45.48
Druglikeness	2.7921
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Amines	1
Aromatic Amines	1
StereoCon

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