(E)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)-1-phenylprop-2-en-1-one

Formula:C22H14N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)-1-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)-1-phenylprop-2-en-1-one
MolecularFormula	C22H14N2O4
Smiles	[O-][N+](c1cc(/C=C(/C(c2ccccc2)=O)\c2nc(cccc3)c3o2)ccc1)=O
InChI	InChI=1S/C22H14N2O4/c25-21(16-8-2-1-3-9-16)18(14-15-7-6-10-17(13-15)24(26)27)22-23-19-11-4-5-12-20(19)28-22/h1-14H
InChIK	UQMNPARTHRQTER-UHFFFAOYSA-N
TotalMolweight	370.363
Molweight	370.363
MonoisotopicMass	370.095358
CLogP	3.6203
CLogS	-5.386
H Acceptors	6
TotalSurfaceArea	281.96
Relative PSA	0.24308
PolarSurfaceArea	88.92
Druglikeness	-3.8849
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.42857
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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