2-(4-fluorophenyl)-3-[(E)-2-nitroethenyl]-1H-indole

Formula:C16H11N2O2F Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-(4-fluorophenyl)-3-[(E)-2-nitroethenyl]-1H-indole is a drug-like molecule.

MolName	2-(4-fluorophenyl)-3-[(E)-2-nitroethenyl]-1H-indole
MolecularFormula	C16H11N2O2F
Smiles	[O-][N+](/C=C/c1c(-c(cc2)ccc2F)[nH]c2c1cccc2)=O
InChI	InChI=1S/C16H11FN2O2/c17-12-7-5-11(6-8-12)16-14(9-10-19(20)21)13-3-1-2-4-15(13)18-16/h1-10,18H
InChIK	YWDLOHOHROOWTE-UHFFFAOYSA-N
TotalMolweight	282.273
Molweight	282.273
MonoisotopicMass	282.080456
CLogP	2.6602
CLogS	-5.243
H Acceptors	4
H Donors	1
TotalSurfaceArea	213.71
Relative PSA	0.2078
PolarSurfaceArea	61.61
Druglikeness	-6.1093
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.52381
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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