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

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

MolName	[2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl] 3-nitrobenzoate
MolecularFormula	C22H13NO5ClF
Smiles	[O-][N+](c1cccc(C(Oc(ccc(F)c2)c2C(/C=C/c(cc2)ccc2Cl)=O)=O)c1)=O
InChI	InChI=1S/C22H13ClFNO5/c23-16-7-4-14(5-8-16)6-10-20(26)19-13-17(24)9-11-21(19)30-22(27)15-2-1-3-18(12-15)25(28)29/h1-13H
InChIK	DSSNUZRXMXKFCB-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	none
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-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl] 3-nitrobenzoate | 2 - [2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl] 3-nitrobenzoate

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