(5E)-5-[[1-[(2-fluorophenyl)methyl]indol-2-yl]methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione

Formula:C26H17N4O5F Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-5-[[1-[(2-fluorophenyl)methyl]indol-2-yl]methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-5-[[1-[(2-fluorophenyl)methyl]indol-2-yl]methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione
MolecularFormula	C26H17N4O5F
Smiles	[O-][N+](c(cc1)ccc1N(C(/C(/C(N1)=O)=C/c2cc(cccc3)c3n2Cc(cccc2)c2F)=O)C1=O)=O
InChI	InChI=1S/C26H17FN4O5/c27-22-7-3-1-6-17(22)15-29-20(13-16-5-2-4-8-23(16)29)14-21-24(32)28-26(34)30(25(21)33)18-9-11-19(12-10-18)31(35)36/h1-14H,15H2,(H,28,32,34)
InChIK	QXOPPUYXYBZZEQ-UHFFFAOYSA-N
TotalMolweight	484.442
Molweight	484.442
MonoisotopicMass	484.118299
CLogP	2.9183
CLogS	-5.663
H Acceptors	9
H Donors	1
TotalSurfaceArea	346.58
Relative PSA	0.26378
PolarSurfaceArea	117.23
Druglikeness	-0.64673
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.47222
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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