(E)-2-(4-fluorophenyl)-3-[1-[(4-nitrophenyl)methyl]indol-3-yl]prop-2-enenitrile

Formula:C24H16N3O2F Mutagenic:none Tumorigenic:low Reproductive Effective:low (E)-2-(4-fluorophenyl)-3-[1-[(4-nitrophenyl)methyl]indol-3-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(4-fluorophenyl)-3-[1-[(4-nitrophenyl)methyl]indol-3-yl]prop-2-enenitrile
MolecularFormula	C24H16N3O2F
Smiles	N#C/C(/c(cc1)ccc1F)=C/c1cn(Cc(cc2)ccc2[N+]([O-])=O)c2c1cccc2
InChI	InChI=1S/C24H16FN3O2/c25-21-9-7-18(8-10-21)19(14-26)13-20-16-27(24-4-2-1-3-23(20)24)15-17-5-11-22(12-6-17)28(29)30/h1-13,16H,15H2
InChIK	MHZMBMVANQWBRE-UHFFFAOYSA-N
TotalMolweight	397.408
Molweight	397.408
MonoisotopicMass	397.122655
CLogP	4.0415
CLogS	-5.381
H Acceptors	5
TotalSurfaceArea	306.78
Relative PSA	0.16575
PolarSurfaceArea	74.54
Druglikeness	-8.9857
Mutagenic	none
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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