2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1,3-benzoxazole

Formula:C15H9NOCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1,3-benzoxazole is a drug-like molecule.

MolName	2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1,3-benzoxazole
MolecularFormula	C15H9NOCl2
Smiles	Clc1cc(Cl)c(/C=C/c2nc(cccc3)c3o2)cc1
InChI	InChI=1S/C15H9Cl2NO/c16-11-7-5-10(12(17)9-11)6-8-15-18-13-3-1-2-4-14(13)19-15/h1-9H
InChIK	CGSZVEMSWPKGIS-UHFFFAOYSA-N
TotalMolweight	290.148
Molweight	290.148
MonoisotopicMass	289.006118
CLogP	4.9799
CLogS	-5.353
H Acceptors	2
TotalSurfaceArea	213.41
Relative PSA	0.11752
PolarSurfaceArea	26.03
Druglikeness	-0.45224
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Aromatic Nitrogens	1
StereoCon

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