2-[(E)-3-chloroprop-2-enyl]isoindole-1,3-dione

Formula:C11H8NO2Cl Mutagenic:low Tumorigenic:low Reproductive Effective:high 2-[(E)-3-chloroprop-2-enyl]isoindole-1,3-dione is a drug-like molecule.

MolName	2-[(E)-3-chloroprop-2-enyl]isoindole-1,3-dione
MolecularFormula	C11H8NO2Cl
Smiles	O=C(c1c2cccc1)N(C/C=C/Cl)C2=O
InChI	InChI=1S/C11H8ClNO2/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-6H,7H2
InChIK	FMJZFRSTADBDHL-UHFFFAOYSA-N
TotalMolweight	221.643
Molweight	221.643
MonoisotopicMass	221.024356
CLogP	1.7921
CLogS	-2.542
H Acceptors	3
TotalSurfaceArea	161.24
Relative PSA	0.18376
PolarSurfaceArea	37.38
Druglikeness	2.9586
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	low
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	15
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Symmetricatoms	5
Amides	1
StereoCon

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