4-[[4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid

Formula:C24H18N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid is a drug-like molecule.

MolName	4-[[4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid
MolecularFormula	C24H18N2O5
Smiles	OC(c1ccc(COc2ccc(/C=C(\C(NN3c4ccccc4)=O)/C3=O)cc2)cc1)=O
InChI	InChI=1S/C24H18N2O5/c27-22-21(23(28)26(25-22)19-4-2-1-3-5-19)14-16-8-12-20(13-9-16)31-15-17-6-10-18(11-7-17)24(29)30/h1-14H,15H2,(H,25,27)(H,29,30)
InChIK	SJOIPGHKUZDCPC-UHFFFAOYSA-N
TotalMolweight	414.416
Molweight	414.416
MonoisotopicMass	414.121573
CLogP	2.1768
CLogS	-4.244
H Acceptors	7
H Donors	2
TotalSurfaceArea	309.11
Relative PSA	0.24985
PolarSurfaceArea	95.94
Druglikeness	3.7152
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	6
AcidicOxygens	1
StereoCon

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