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

Formula:C28H15N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-(1,3-benzodioxol-5-yl)-2-[(E)-2-(3-nitrophenyl)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-nitrophenyl)ethenyl]-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
MolecularFormula	C28H15N3O5
Smiles	N#Cc(c(/C=C/c1cccc([N+]([O-])=O)c1)nc(-c1c2cccc1)c1C2=O)c1-c(cc1)cc2c1OCO2
InChI	InChI=1S/C28H15N3O5/c29-14-21-22(10-8-16-4-3-5-18(12-16)31(33)34)30-27-19-6-1-2-7-20(19)28(32)26(27)25(21)17-9-11-23-24(13-17)36-15-35-23/h1-13H,15H2
InChIK	NHNGCIJPBQERTQ-UHFFFAOYSA-N
TotalMolweight	473.443
Molweight	473.443
MonoisotopicMass	473.101172
CLogP	5.2116
CLogS	-9.803
H Acceptors	8
TotalSurfaceArea	347.69
Relative PSA	0.25307
PolarSurfaceArea	118.03
Druglikeness	-10
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.41667
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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