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

Formula:C28H14N2O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-(1,3-benzodioxol-5-yl)-2-[(E)-2-(3,4-dichlorophenyl)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-(3,4-dichlorophenyl)ethenyl]-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
MolecularFormula	C28H14N2O3Cl2
Smiles	N#Cc(c(/C=C/c(cc1)cc(Cl)c1Cl)nc(-c1c2cccc1)c1C2=O)c1-c(cc1)cc2c1OCO2
InChI	InChI=1S/C28H14Cl2N2O3/c29-20-8-5-15(11-21(20)30)6-9-22-19(13-31)25(16-7-10-23-24(12-16)35-14-34-23)26-27(32-22)17-3-1-2-4-18(17)28(26)33/h1-12H,14H2
InChIK	MCNZYEUXCSQLJJ-UHFFFAOYSA-N
TotalMolweight	497.336
Molweight	497.336
MonoisotopicMass	496.038147
CLogP	7.3452
CLogS	-10.815
H Acceptors	5
TotalSurfaceArea	354.86
Relative PSA	0.16223
PolarSurfaceArea	72.21
Druglikeness	-4.7968
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.42857
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
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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1 - 4-(1,3-benzodioxol-5-yl)-2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-5-oxoindeno[1,2-b]pyridine-3-carbonitrile | 2 - 4-(1,3-benzodioxol-5-yl)-2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-5-oxoindeno[1,2-b]pyridine-3-carbonitrile

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