2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-benzoxazole

Formula:C16H11NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-benzoxazole is a drug-like molecule.

MolName	2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-benzoxazole
MolecularFormula	C16H11NO3
Smiles	C1Oc(cc(/C=C/c2nc(cccc3)c3o2)cc2)c2O1
InChI	InChI=1S/C16H11NO3/c1-2-4-13-12(3-1)17-16(20-13)8-6-11-5-7-14-15(9-11)19-10-18-14/h1-9H,10H2
InChIK	DPSXZXQPFAYPNZ-UHFFFAOYSA-N
TotalMolweight	265.267
Molweight	265.267
MonoisotopicMass	265.073894
CLogP	3.8793
CLogS	-4.592
H Acceptors	4
TotalSurfaceArea	202.83
Relative PSA	0.22226
PolarSurfaceArea	44.49
Druglikeness	-0.57618
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Aromatic Nitrogens	1
StereoCon

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