(E)-3-(2,4-dichlorophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one

Formula:C13H9NOCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2,4-dichlorophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(2,4-dichlorophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one
MolecularFormula	C13H9NOCl2
Smiles	O=C(/C=C/c(ccc(Cl)c1)c1Cl)c1ccc[nH]1
InChI	InChI=1S/C13H9Cl2NO/c14-10-5-3-9(11(15)8-10)4-6-13(17)12-2-1-7-16-12/h1-8,16H
InChIK	NQBLUSDNVGJHJX-UHFFFAOYSA-N
TotalMolweight	266.126
Molweight	266.126
MonoisotopicMass	265.006118
CLogP	3.2923
CLogS	-4.36
H Acceptors	2
H Donors	1
TotalSurfaceArea	197.68
Relative PSA	0.13674
PolarSurfaceArea	32.86
Druglikeness	2.2476
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Aromatic Nitrogens	1
StereoCon

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