4-amino-2-[(E)-3-(3-fluorophenyl)prop-2-enoyl]isoindole-1,3-dione

Formula:C17H11N2O3F Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-amino-2-[(E)-3-(3-fluorophenyl)prop-2-enoyl]isoindole-1,3-dione is a drug-like molecule.

MolName	4-amino-2-[(E)-3-(3-fluorophenyl)prop-2-enoyl]isoindole-1,3-dione
MolecularFormula	C17H11N2O3F
Smiles	Nc1cccc(C(N2C(/C=C/c3cccc(F)c3)=O)=O)c1C2=O
InChI	InChI=1S/C17H11FN2O3/c18-11-4-1-3-10(9-11)7-8-14(21)20-16(22)12-5-2-6-13(19)15(12)17(20)23/h1-9H,19H2
InChIK	MVRDLZWEDOVUGH-UHFFFAOYSA-N
TotalMolweight	310.283
Molweight	310.283
MonoisotopicMass	310.075371
CLogP	2.2468
CLogS	-3.837
H Acceptors	5
H Donors	1
TotalSurfaceArea	224.44
Relative PSA	0.25815
PolarSurfaceArea	80.47
Druglikeness	-1.0187
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Amides	1
Amines	1
Aromatic Amines	1
StereoCon

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