(E)-3-(3-bromophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one

Formula:C13H10NOBr Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-bromophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(3-bromophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one
MolecularFormula	C13H10NOBr
Smiles	O=C(/C=C/c1cccc(Br)c1)c1ccc[nH]1
InChI	InChI=1S/C13H10BrNO/c14-11-4-1-3-10(9-11)6-7-13(16)12-5-2-8-15-12/h1-9,15H
InChIK	LCYMZLZXIPGGPA-UHFFFAOYSA-N
TotalMolweight	276.132
Molweight	276.132
MonoisotopicMass	274.994575
CLogP	2.8055
CLogS	-3.722
H Acceptors	2
H Donors	1
TotalSurfaceArea	185.47
Relative PSA	0.14574
PolarSurfaceArea	32.86
Druglikeness	0.39615
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	16
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Aromatic Nitrogens	1
StereoCon

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