2-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]isoindole-1,3-dione

Formula:C26H18N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]isoindole-1,3-dione is a drug-like molecule.

MolName	2-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]isoindole-1,3-dione
MolecularFormula	C26H18N4O4
Smiles	O=C(c(cccc1)c1C1=O)N1/N=C\c1cn(-c2ccccc2)nc1-c(cc1)cc2c1OCCO2
InChI	InChI=1S/C26H18N4O4/c31-25-20-8-4-5-9-21(20)26(32)30(25)27-15-18-16-29(19-6-2-1-3-7-19)28-24(18)17-10-11-22-23(14-17)34-13-12-33-22/h1-11,14-16H,12-13H2
InChIK	ZPOFDSQLQGGYSI-UHFFFAOYSA-N
TotalMolweight	450.453
Molweight	450.453
MonoisotopicMass	450.132806
CLogP	3.5495
CLogS	-5.277
H Acceptors	8
TotalSurfaceArea	331.58
Relative PSA	0.23819
PolarSurfaceArea	86.02
Druglikeness	-2.8979
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.44118
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	4
Symmetricatoms	7
Aromatic Nitrogens	2
StereoCon

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1 - 2-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]isoindole-1,3-dione | 2 - 2-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]isoindole-1,3-dione

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