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

Formula:C13H11NO Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-phenyl-3-(1H-pyrrol-2-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-phenyl-3-(1H-pyrrol-2-yl)prop-2-en-1-one
MolecularFormula	C13H11NO
Smiles	O=C(/C=C/c1ccc[nH]1)c1ccccc1
InChI	InChI=1S/C13H11NO/c15-13(11-5-2-1-3-6-11)9-8-12-7-4-10-14-12/h1-10,14H
InChIK	IROAIBYOOAEFGE-UHFFFAOYSA-N
TotalMolweight	197.236
Molweight	197.236
MonoisotopicMass	197.084064
CLogP	2.0803
CLogS	-2.888
H Acceptors	2
H Donors	1
TotalSurfaceArea	166.84
Relative PSA	0.16201
PolarSurfaceArea	32.86
Druglikeness	1.7824
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	15
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule: