5-chloro-3-[(E)-4-chlorobut-2-enyl]-1,3-benzoxazol-2-one

Formula:C11H9NO2Cl2 Mutagenic:low Tumorigenic:high Reproductive Effective:high 5-chloro-3-[(E)-4-chlorobut-2-enyl]-1,3-benzoxazol-2-one is a drug-like molecule.

MolName	5-chloro-3-[(E)-4-chlorobut-2-enyl]-1,3-benzoxazol-2-one
MolecularFormula	C11H9NO2Cl2
Smiles	O=C1Oc(ccc(Cl)c2)c2N1C/C=C/CCl
InChI	InChI=1S/C11H9Cl2NO2/c12-5-1-2-6-14-9-7-8(13)3-4-10(9)16-11(14)15/h1-4,7H,5-6H2
InChIK	NIQOWRSTPLWVCW-UHFFFAOYSA-N
TotalMolweight	258.103
Molweight	258.103
MonoisotopicMass	257.001033
CLogP	3.3581
CLogS	-4.241
H Acceptors	3
TotalSurfaceArea	182.67
Relative PSA	0.14556
PolarSurfaceArea	29.54
Druglikeness	-2.7435
Mutagenic	low
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	allyl/benzyl chloride
Shape Index	0.625
Fragments	1
Non HAtoms	16
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Amides	1
StereoCon

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