[2-(2-fluoroanilino)-2-oxoethyl] (E)-3-(3-bromophenyl)prop-2-enoate

Formula:C17H13NO3BrF Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(2-fluoroanilino)-2-oxoethyl] (E)-3-(3-bromophenyl)prop-2-enoate is a drug-like molecule.

MolName	[2-(2-fluoroanilino)-2-oxoethyl] (E)-3-(3-bromophenyl)prop-2-enoate
MolecularFormula	C17H13NO3BrF
Smiles	O=C(COC(/C=C/c1cccc(Br)c1)=O)Nc(cccc1)c1F
InChI	InChI=1S/C17H13BrFNO3/c18-13-5-3-4-12(10-13)8-9-17(22)23-11-16(21)20-15-7-2-1-6-14(15)19/h1-10H,11H2,(H,20,21)
InChIK	NSLBDPLORGHXSI-UHFFFAOYSA-N
TotalMolweight	378.196
Molweight	378.196
MonoisotopicMass	377.006283
CLogP	3.5202
CLogS	-4.549
H Acceptors	4
H Donors	1
TotalSurfaceArea	255.22
Relative PSA	0.18627
PolarSurfaceArea	55.4
Druglikeness	-3.0364
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Amides	1
StereoCon

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