(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-bromophenyl)-7-phenylimidazo[2,1-c][1,2,4]triazol-6-one

Formula:C24H15N4O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-bromophenyl)-7-phenylimidazo[2,1-c][1,2,4]triazol-6-one is not a drug-like molecule.

MolName	(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-bromophenyl)-7-phenylimidazo[2,1-c][1,2,4]triazol-6-one
MolecularFormula	C24H15N4O3Br
Smiles	O=C(/C(/n1c2nnc1-c(cc1)ccc1Br)=C\c(cc1)cc3c1OCO3)N2c1ccccc1
InChI	InChI=1S/C24H15BrN4O3/c25-17-9-7-16(8-10-17)22-26-27-24-28(18-4-2-1-3-5-18)23(30)19(29(22)24)12-15-6-11-20-21(13-15)32-14-31-20/h1-13H,14H2
InChIK	JCFHUVGALVIWIE-UHFFFAOYSA-N
TotalMolweight	487.312
Molweight	487.312
MonoisotopicMass	486.032752
CLogP	5.7234
CLogS	-8.529
H Acceptors	7
TotalSurfaceArea	317.41
Relative PSA	0.20604
PolarSurfaceArea	69.48
Druglikeness	2.559
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.4375
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	3
StereoCon

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1 - (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-bromophenyl)-7-phenylimidazo[2,1-c][1,2,4]triazol-6-one | 2 - (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-bromophenyl)-7-phenylimidazo[2,1-c][1,2,4]triazol-6-one

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