3-(1,3-benzodioxol-5-yl)-5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-2-phenyl-3,4-dihydropyrazole

Formula:C25H20N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-(1,3-benzodioxol-5-yl)-5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-2-phenyl-3,4-dihydropyrazole is not a drug-like molecule.

MolName	3-(1,3-benzodioxol-5-yl)-5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-2-phenyl-3,4-dihydropyrazole
MolecularFormula	C25H20N2O4
Smiles	C(C1c(cc2)cc3c2OCO3)C(/C=C/c(cc2)cc3c2OCO3)=NN1c1ccccc1
InChI	InChI=1S/C25H20N2O4/c1-2-4-20(5-3-1)27-21(18-8-11-23-25(13-18)31-16-29-23)14-19(26-27)9-6-17-7-10-22-24(12-17)30-15-28-22/h1-13,21H,14-16H2/t21-/m1/s1
InChIK	SLFXGUYWPSUYAE-OAQYLSRUSA-N
TotalMolweight	412.444
Molweight	412.444
MonoisotopicMass	412.142308
CLogP	5.8948
CLogS	-6.117
H Acceptors	6
TotalSurfaceArea	305.83
Relative PSA	0.18003
PolarSurfaceArea	52.52
Druglikeness	2.6365
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	8
Symmetricatoms	2
StereoCon	racemate

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