(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide

Formula:C24H19N2O2Cl2F3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
MolecularFormula	C24H19N2O2Cl2F3
Smiles	O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc(cc(C(F)(F)F)cc1)c1N1CCCC1
InChI	InChI=1S/C24H19Cl2F3N2O2/c25-18-5-3-4-17(23(18)26)21-10-7-16(33-21)8-11-22(32)30-19-14-15(24(27,28)29)6-9-20(19)31-12-1-2-13-31/h3-11,14H,1-2,12-13H2,(H,30,32)
InChIK	JUCJCXJMIYIIFB-UHFFFAOYSA-N
TotalMolweight	495.327
Molweight	495.327
MonoisotopicMass	494.077566
CLogP	6.6265
CLogS	-7.93
H Acceptors	4
H Donors	1
TotalSurfaceArea	350.32
Relative PSA	0.12035
PolarSurfaceArea	45.48
Druglikeness	-4.3979
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	4
Amides	1
Amines	1
Aromatic Amines	1
StereoCon

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