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

Formula:C14H9NO3 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(furan-2-yl)ethenyl]-3,1-benzoxazin-4-one is a drug-like molecule.

MolName	2-[(E)-2-(furan-2-yl)ethenyl]-3,1-benzoxazin-4-one
MolecularFormula	C14H9NO3
Smiles	O=C1OC(/C=C/c2ccco2)=Nc2c1cccc2
InChI	InChI=1S/C14H9NO3/c16-14-11-5-1-2-6-12(11)15-13(18-14)8-7-10-4-3-9-17-10/h1-9H
InChIK	BZVYAIVUIDKPTL-UHFFFAOYSA-N
TotalMolweight	239.229
Molweight	239.229
MonoisotopicMass	239.058244
CLogP	1.8942
CLogS	-3.393
H Acceptors	4
TotalSurfaceArea	186.43
Relative PSA	0.26101
PolarSurfaceArea	51.8
Druglikeness	-0.30058
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
StereoCon

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