(4E)-4-[[4-(diethylamino)-2-propoxyphenyl]methylidene]-1-(4-iodophenyl)pyrazolidine-3,5-dione

Formula:C23H26N3O3I Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-4-[[4-(diethylamino)-2-propoxyphenyl]methylidene]-1-(4-iodophenyl)pyrazolidine-3,5-dione is not a drug-like molecule.

MolName	(4E)-4-[[4-(diethylamino)-2-propoxyphenyl]methylidene]-1-(4-iodophenyl)pyrazolidine-3,5-dione
MolecularFormula	C23H26N3O3I
Smiles	CCCOc1c(/C=C(\C(NN2c(cc3)ccc3I)=O)/C2=O)ccc(N(CC)CC)c1
InChI	InChI=1S/C23H26IN3O3/c1-4-13-30-21-15-19(26(5-2)6-3)10-7-16(21)14-20-22(28)25-27(23(20)29)18-11-8-17(24)9-12-18/h7-12,14-15H,4-6,13H2,1-3H3,(H,25,28)
InChIK	BALHLOQIHDBXSR-UHFFFAOYSA-N
TotalMolweight	519.377
Molweight	519.377
MonoisotopicMass	519.10189
CLogP	3.2804
CLogS	-5.13
H Acceptors	6
H Donors	1
TotalSurfaceArea	339.89
Relative PSA	0.16076
PolarSurfaceArea	61.88
Druglikeness	5.4439
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	4
Amines	1
Aromatic Amines	1
StereoCon

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