(E)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(3-nitroanilino)prop-2-en-1-one

Formula:C22H16N2O4ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(3-nitroanilino)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(3-nitroanilino)prop-2-en-1-one
MolecularFormula	C22H16N2O4ClF
Smiles	[O-][N+](c1cccc(N/C=C/C(c2cccc(OCc(c(F)ccc3)c3Cl)c2)=O)c1)=O
InChI	InChI=1S/C22H16ClFN2O4/c23-20-8-3-9-21(24)19(20)14-30-18-7-1-4-15(12-18)22(27)10-11-25-16-5-2-6-17(13-16)26(28)29/h1-13,25H,14H2
InChIK	NORWHDKICJKJIV-UHFFFAOYSA-N
TotalMolweight	426.83
Molweight	426.83
MonoisotopicMass	426.078263
CLogP	3.6078
CLogS	-6.637
H Acceptors	6
H Donors	1
TotalSurfaceArea	317.69
Relative PSA	0.20435
PolarSurfaceArea	84.15
Druglikeness	-6.0055
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
AcidicOxygens	1
StereoCon

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