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

Formula:C26H16N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-[4-[(E)-2-(4-oxo-3,1-benzoxazin-2-yl)ethenyl]phenyl]ethenyl]-3,1-benzoxazin-4-one is a drug-like molecule.

MolName	2-[(E)-2-[4-[(E)-2-(4-oxo-3,1-benzoxazin-2-yl)ethenyl]phenyl]ethenyl]-3,1-benzoxazin-4-one
MolecularFormula	C26H16N2O4
Smiles	O=C1OC(/C=C/c2ccc(/C=C/C(O3)=Nc(cccc4)c4C3=O)cc2)=Nc2c1cccc2
InChI	InChI=1S/C26H16N2O4/c29-25-19-5-1-3-7-21(19)27-23(31-25)15-13-17-9-11-18(12-10-17)14-16-24-28-22-8-4-2-6-20(22)26(30)32-24/h1-16H
InChIK	BTHYRKJWKVBDRC-UHFFFAOYSA-N
TotalMolweight	420.423
Molweight	420.423
MonoisotopicMass	420.111008
CLogP	3.7514
CLogS	-5.806
H Acceptors	6
TotalSurfaceArea	320.22
Relative PSA	0.21579
PolarSurfaceArea	77.32
Druglikeness	-0.50315
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	17
StereoCon

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