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

Formula:C16H10NO2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazin-4-one is a drug-like molecule.

MolName	2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazin-4-one
MolecularFormula	C16H10NO2Cl
Smiles	O=C1N=C(/C=C/c(cc2)ccc2Cl)Oc2c1cccc2
InChI	InChI=1S/C16H10ClNO2/c17-12-8-5-11(6-9-12)7-10-15-18-16(19)13-3-1-2-4-14(13)20-15/h1-10H
InChIK	KOEIWNUJWJSLHO-UHFFFAOYSA-N
TotalMolweight	283.713
Molweight	283.713
MonoisotopicMass	283.040006
CLogP	3.6028
CLogS	-4.614
H Acceptors	3
TotalSurfaceArea	212.16
Relative PSA	0.16285
PolarSurfaceArea	38.66
Druglikeness	0.55451
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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