(E)-2-(1,3-benzoxazol-2-yl)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one

Formula:C21H14N2O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzoxazol-2-yl)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-2-(1,3-benzoxazol-2-yl)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one
MolecularFormula	C21H14N2O2
Smiles	O=C(/C(/c1nc(cccc2)c2o1)=C/c1cnccc1)c1ccccc1
InChI	InChI=1S/C21H14N2O2/c24-20(16-8-2-1-3-9-16)17(13-15-7-6-12-22-14-15)21-23-18-10-4-5-11-19(18)25-21/h1-14H
InChIK	OJCMTHCACYRILJ-UHFFFAOYSA-N
TotalMolweight	326.354
Molweight	326.354
MonoisotopicMass	326.105528
CLogP	3.541
CLogS	-4.131
H Acceptors	4
TotalSurfaceArea	257.05
Relative PSA	0.19097
PolarSurfaceArea	55.99
Druglikeness	1.1776
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44
Fragments	1
Non HAtoms	25
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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