4-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione

Formula:C25H18N3O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.

MolName	4-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C25H18N3O2Cl
Smiles	O=C(C(C1=O)=Cc2cn(Cc(cccc3)c3Cl)c3c2cccc3)NN1c1ccccc1
InChI	InChI=1S/C25H18ClN3O2/c26-22-12-6-4-8-17(22)15-28-16-18(20-11-5-7-13-23(20)28)14-21-24(30)27-29(25(21)31)19-9-2-1-3-10-19/h1-14,16H,15H2,(H,27,30)
InChIK	SOTAPEXVWFGDQZ-UHFFFAOYSA-N
TotalMolweight	427.89
Molweight	427.89
MonoisotopicMass	427.108754
CLogP	3.4793
CLogS	-4.604
H Acceptors	5
H Donors	1
TotalSurfaceArea	314.23
Relative PSA	0.15263
PolarSurfaceArea	54.34
Druglikeness	5.3465
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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