7-chloro-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one

Formula:C16H10NO2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 7-chloro-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one is a drug-like molecule.

MolName	7-chloro-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one
MolecularFormula	C16H10NO2Cl
Smiles	O=C1OC(/C=C/c2ccccc2)=Nc2c1ccc(Cl)c2
InChI	InChI=1S/C16H10ClNO2/c17-12-7-8-13-14(10-12)18-15(20-16(13)19)9-6-11-4-2-1-3-5-11/h1-10H
InChIK	MLSCGZMILBZZEH-UHFFFAOYSA-N
TotalMolweight	283.713
Molweight	283.713
MonoisotopicMass	283.040006
CLogP	3.3115
CLogS	-4.447
H Acceptors	3
TotalSurfaceArea	212.16
Relative PSA	0.16285
PolarSurfaceArea	38.66
Druglikeness	-0.38664
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
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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