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

Formula:C15H10NOCl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazole is a drug-like molecule.

MolName	2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazole
MolecularFormula	C15H10NOCl
Smiles	Clc1ccc(/C=C/c2nc(cccc3)c3o2)cc1
InChI	InChI=1S/C15H10ClNO/c16-12-8-5-11(6-9-12)7-10-15-17-13-3-1-2-4-14(13)18-15/h1-10H
InChIK	LUHPFRGVJFNUOR-UHFFFAOYSA-N
TotalMolweight	255.703
Molweight	255.703
MonoisotopicMass	255.045091
CLogP	4.3739
CLogS	-4.617
H Acceptors	2
TotalSurfaceArea	197.99
Relative PSA	0.12667
PolarSurfaceArea	26.03
Druglikeness	-0.45224
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	18
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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