4-[(E)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]benzonitrile

Formula:C17H10N2O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]benzonitrile is a drug-like molecule.

MolName	4-[(E)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]benzonitrile
MolecularFormula	C17H10N2O2
Smiles	N#Cc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1
InChI	InChI=1S/C17H10N2O2/c18-11-13-8-6-12(7-9-13)10-15-17(20)21-16(19-15)14-4-2-1-3-5-14/h1-10H
InChIK	TVAGPAAYXQKMPE-UHFFFAOYSA-N
TotalMolweight	274.278
Molweight	274.278
MonoisotopicMass	274.074228
CLogP	2.4274
CLogS	-4.692
H Acceptors	4
TotalSurfaceArea	216.66
Relative PSA	0.22205
PolarSurfaceArea	62.45
Druglikeness	-3.4429
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	4
StereoCon

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