3-[5-[(Z)-[3-methyl-5-oxo-1-(4-sulfamoylphenyl)pyrazol-4-ylidene]methyl]furan-2-yl]benzoic acid

Formula:C22H17N3O6S Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[5-[(Z)-[3-methyl-5-oxo-1-(4-sulfamoylphenyl)pyrazol-4-ylidene]methyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	3-[5-[(Z)-[3-methyl-5-oxo-1-(4-sulfamoylphenyl)pyrazol-4-ylidene]methyl]furan-2-yl]benzoic acid
MolecularFormula	C22H17N3O6S
Smiles	CC(/C(/C1=O)=C/c2ccc(-c3cc(C(O)=O)ccc3)o2)=NN1c(cc1)ccc1S(N)(=O)=O
InChI	InChI=1S/C22H17N3O6S/c1-13-19(21(26)25(24-13)16-5-8-18(9-6-16)32(23,29)30)12-17-7-10-20(31-17)14-3-2-4-15(11-14)22(27)28/h2-12H,1H3,(H,27,28)(H2,23,29,30)
InChIK	ICFYVNNSVLQMHX-UHFFFAOYSA-N
TotalMolweight	451.458
Molweight	451.458
MonoisotopicMass	451.083807
CLogP	2.7518
CLogS	-4.809
H Acceptors	9
H Donors	2
TotalSurfaceArea	318.16
Relative PSA	0.35265
PolarSurfaceArea	151.65
Druglikeness	3.728
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	3
Amides	1
AcidicOxygens	1
StereoCon

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