4-(1,3-benzodioxol-5-yl)-2-[(E)-2-(3-bromophenyl)ethenyl]-5-oxoindeno[1,2-b]pyridine-3-carbonitrile

Formula:C28H15N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-(1,3-benzodioxol-5-yl)-2-[(E)-2-(3-bromophenyl)ethenyl]-5-oxoindeno[1,2-b]pyridine-3-carbonitrile is not a drug-like molecule.

MolName	4-(1,3-benzodioxol-5-yl)-2-[(E)-2-(3-bromophenyl)ethenyl]-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
MolecularFormula	C28H15N2O3Br
Smiles	N#Cc(c(/C=C/c1cccc(Br)c1)nc(-c1c2cccc1)c1C2=O)c1-c(cc1)cc2c1OCO2
InChI	InChI=1S/C28H15BrN2O3/c29-18-5-3-4-16(12-18)8-10-22-21(14-30)25(17-9-11-23-24(13-17)34-15-33-23)26-27(31-22)19-6-1-2-7-20(19)28(26)32/h1-13H,15H2
InChIK	FBXYPVFAYBHJNW-UHFFFAOYSA-N
TotalMolweight	507.342
Molweight	507.342
MonoisotopicMass	506.026604
CLogP	6.8584
CLogS	-10.177
H Acceptors	5
TotalSurfaceArea	342.65
Relative PSA	0.16801
PolarSurfaceArea	72.21
Druglikeness	-6.7008
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.41176
Fragments	1
Non HAtoms	34
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	3
Aromatic Nitrogens	1
StereoCon

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