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

Formula:C22H13NO5ClF Mutagenic:none Tumorigenic:high Reproductive Effective:none [2-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-4-fluorophenyl] 4-nitrobenzoate is a drug-like molecule.

MolName	[2-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-4-fluorophenyl] 4-nitrobenzoate
MolecularFormula	C22H13NO5ClF
Smiles	[O-][N+](c(cc1)ccc1C(Oc(ccc(F)c1)c1C(/C=C/c(cccc1)c1Cl)=O)=O)=O
InChI	InChI=1S/C22H13ClFNO5/c23-19-4-2-1-3-14(19)7-11-20(26)18-13-16(24)8-12-21(18)30-22(27)15-5-9-17(10-6-15)25(28)29/h1-13H
InChIK	OOVWIWHLUZYJGQ-UHFFFAOYSA-N
TotalMolweight	425.798
Molweight	425.798
MonoisotopicMass	425.046629
CLogP	4.5195
CLogS	-6.82
H Acceptors	6
TotalSurfaceArea	310.22
Relative PSA	0.21436
PolarSurfaceArea	89.19
Druglikeness	-6.1782
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
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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1 - [2-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-4-fluorophenyl] 4-nitrobenzoate | 2 - [2-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-4-fluorophenyl] 4-nitrobenzoate

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