[4-fluoro-2-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenyl] 4-nitrobenzoate

Formula:C22H13NO5F2 Mutagenic:none Tumorigenic:none Reproductive Effective:low [4-fluoro-2-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenyl] 4-nitrobenzoate is a drug-like molecule.

MolName	[4-fluoro-2-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenyl] 4-nitrobenzoate
MolecularFormula	C22H13NO5F2
Smiles	[O-][N+](c(cc1)ccc1C(Oc(ccc(F)c1)c1C(/C=C/c(cccc1)c1F)=O)=O)=O
InChI	InChI=1S/C22H13F2NO5/c23-16-8-12-21(30-22(27)15-5-9-17(10-6-15)25(28)29)18(13-16)20(26)11-7-14-3-1-2-4-19(14)24/h1-13H
InChIK	UMWXGVSFOGJDFQ-UHFFFAOYSA-N
TotalMolweight	409.343
Molweight	409.343
MonoisotopicMass	409.07618
CLogP	4.0143
CLogS	-6.398
H Acceptors	6
TotalSurfaceArea	301.15
Relative PSA	0.22082
PolarSurfaceArea	89.19
Druglikeness	-6.2884
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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