4-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]benzonitrile

Formula:C16H12N2O Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]benzonitrile is a drug-like molecule.

MolName	4-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]benzonitrile
MolecularFormula	C16H12N2O
Smiles	N#Cc(cc1)ccc1N/C=C/C(c1ccccc1)=O
InChI	InChI=1S/C16H12N2O/c17-12-13-6-8-15(9-7-13)18-11-10-16(19)14-4-2-1-3-5-14/h1-11,18H
InChIK	XPYCJPSKQBJAMV-UHFFFAOYSA-N
TotalMolweight	248.284
Molweight	248.284
MonoisotopicMass	248.094963
CLogP	2.3101
CLogS	-4.559
H Acceptors	3
H Donors	1
TotalSurfaceArea	210.44
Relative PSA	0.18086
PolarSurfaceArea	52.89
Druglikeness	-3.6947
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.73684
Fragments	1
Non HAtoms	19
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	4
StereoCon

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