3-[[3-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]indol-1-yl]methyl]benzoic acid

Formula:C26H19N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[3-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]indol-1-yl]methyl]benzoic acid is a drug-like molecule.

MolName	3-[[3-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]indol-1-yl]methyl]benzoic acid
MolecularFormula	C26H19N3O4
Smiles	OC(c1cccc(Cn2c(cccc3)c3c(/C=C(/C(NN3c4ccccc4)=O)\C3=O)c2)c1)=O
InChI	InChI=1S/C26H19N3O4/c30-24-22(25(31)29(27-24)20-9-2-1-3-10-20)14-19-16-28(23-12-5-4-11-21(19)23)15-17-7-6-8-18(13-17)26(32)33/h1-14,16H,15H2,(H,27,30)(H,32,33)
InChIK	LWHKSYHVXUYEKK-UHFFFAOYSA-N
TotalMolweight	437.454
Molweight	437.454
MonoisotopicMass	437.137557
CLogP	2.3584
CLogS	-3.881
H Acceptors	7
H Donors	2
TotalSurfaceArea	322.91
Relative PSA	0.22948
PolarSurfaceArea	91.64
Druglikeness	5.1387
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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