(Z)-2-(4-nitrophenyl)-3-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]prop-2-enenitrile

Formula:C20H12N3O2F3 Mutagenic:none Tumorigenic:low Reproductive Effective:low (Z)-2-(4-nitrophenyl)-3-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-2-(4-nitrophenyl)-3-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]prop-2-enenitrile
MolecularFormula	C20H12N3O2F3
Smiles	N#C/C(/c(cc1)ccc1[N+]([O-])=O)=C\c1cccn1-c1cccc(C(F)(F)F)c1
InChI	InChI=1S/C20H12F3N3O2/c21-20(22,23)16-3-1-4-19(12-16)25-10-2-5-18(25)11-15(13-24)14-6-8-17(9-7-14)26(27)28/h1-12H
InChIK	GYJVPRKCEASDDB-UHFFFAOYSA-N
TotalMolweight	383.328
Molweight	383.328
MonoisotopicMass	383.088161
CLogP	3.4982
CLogS	-7.204
H Acceptors	5
TotalSurfaceArea	281.53
Relative PSA	0.18062
PolarSurfaceArea	74.54
Druglikeness	-15.421
Mutagenic	none
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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