[4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] (E)-3-(4-nitrophenyl)prop-2-enoate

Formula:C25H14NO7F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] (E)-3-(4-nitrophenyl)prop-2-enoate is a drug-like molecule.

MolName	[4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] (E)-3-(4-nitrophenyl)prop-2-enoate
MolecularFormula	C25H14NO7F3
Smiles	[O-][N+](c1ccc(/C=C/C(Oc(cc2)cc(OC(C(F)(F)F)=C3Oc4ccccc4)c2C3=O)=O)cc1)=O
InChI	InChI=1S/C25H14F3NO7/c26-25(27,28)24-23(35-17-4-2-1-3-5-17)22(31)19-12-11-18(14-20(19)36-24)34-21(30)13-8-15-6-9-16(10-7-15)29(32)33/h1-14H
InChIK	QLBNYRZUJAPKKU-UHFFFAOYSA-N
TotalMolweight	497.38
Molweight	497.38
MonoisotopicMass	497.072238
CLogP	4.8462
CLogS	-7.342
H Acceptors	8
TotalSurfaceArea	347.33
Relative PSA	0.24904
PolarSurfaceArea	107.65
Druglikeness	-16.557
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58333
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	6
AcidicOxygens	1
StereoCon

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