(Z)-3-(aziridin-1-yl)-1,3-diphenylprop-2-en-1-one

Formula:C17H15NO Mutagenic:low Tumorigenic:low Reproductive Effective:high (Z)-3-(aziridin-1-yl)-1,3-diphenylprop-2-en-1-one is a drug-like molecule.

MolName	(Z)-3-(aziridin-1-yl)-1,3-diphenylprop-2-en-1-one
MolecularFormula	C17H15NO
Smiles	O=C(/C=C(/c1ccccc1)\N1CC1)c1ccccc1
InChI	InChI=1S/C17H15NO/c19-17(15-9-5-2-6-10-15)13-16(18-11-12-18)14-7-3-1-4-8-14/h1-10,13H,11-12H2
InChIK	XKMHMUQWANVWMS-UHFFFAOYSA-N
TotalMolweight	249.312
Molweight	249.312
MonoisotopicMass	249.115364
CLogP	2.9259
CLogS	-3.149
H Acceptors	2
TotalSurfaceArea	197.8
Relative PSA	0.073761
PolarSurfaceArea	20.08
Druglikeness	3.4844
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	oxiran/aziridine
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	5
StereoCon

Click to Load Molecule: