N-(4-bromophenyl)-1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]pyrrolidine-2-carboxamide

Formula:C15H14N2O2BrF3 Mutagenic:none Tumorigenic:high Reproductive Effective:none N-(4-bromophenyl)-1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]pyrrolidine-2-carboxamide is a drug-like molecule.

MolName	N-(4-bromophenyl)-1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]pyrrolidine-2-carboxamide
MolecularFormula	C15H14N2O2BrF3
Smiles	O=C(C(CCC1)N1/C=C/C(C(F)(F)F)=O)Nc(cc1)ccc1Br
InChI	InChI=1S/C15H14BrF3N2O2/c16-10-3-5-11(6-4-10)20-14(23)12-2-1-8-21(12)9-7-13(22)15(17,18)19/h3-7,9,12H,1-2,8H2,(H,20,23)/t12-/m0/s1
InChIK	FKUYLYZJOQMFRZ-LBPRGKRZSA-N
TotalMolweight	391.186
Molweight	391.186
MonoisotopicMass	390.019073
CLogP	2.5914
CLogS	-4.135
H Acceptors	4
H Donors	1
TotalSurfaceArea	245.39
Relative PSA	0.16745
PolarSurfaceArea	49.41
Druglikeness	-28.801
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Symmetricatoms	4
Amides	1
StereoCon	racemate

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