[2-(4-fluoro-2-nitroanilino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate

Formula:C18H13N2O6F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate is a drug-like molecule.

MolName	[2-(4-fluoro-2-nitroanilino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
MolecularFormula	C18H13N2O6F3
Smiles	[O-][N+](c(cc(cc1)F)c1NC(COC(/C=C/c(cc1)ccc1OC(F)F)=O)=O)=O
InChI	InChI=1S/C18H13F3N2O6/c19-12-4-7-14(15(9-12)23(26)27)22-16(24)10-28-17(25)8-3-11-1-5-13(6-2-11)29-18(20)21/h1-9,18H,10H2,(H,22,24)
InChIK	YYKMBQIJOFAPLC-UHFFFAOYSA-N
TotalMolweight	410.303
Molweight	410.303
MonoisotopicMass	410.072572
CLogP	2.0428
CLogS	-4.797
H Acceptors	8
H Donors	1
TotalSurfaceArea	295.46
Relative PSA	0.29771
PolarSurfaceArea	110.45
Druglikeness	-7.6681
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	3
Amides	1
AcidicOxygens	1
StereoCon

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