3-[[(4E)-4-(4-fluorophenyl)sulfonylimino-1-oxonaphthalen-2-yl]amino]benzoic acid

Formula:C23H15N2O5FS Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-[[(4E)-4-(4-fluorophenyl)sulfonylimino-1-oxonaphthalen-2-yl]amino]benzoic acid is a drug-like molecule.

MolName	3-[[(4E)-4-(4-fluorophenyl)sulfonylimino-1-oxonaphthalen-2-yl]amino]benzoic acid
MolecularFormula	C23H15N2O5FS
Smiles	OC(c1cccc(NC(C(c2c3cccc2)=O)=C/C3=N\S(c(cc2)ccc2F)(=O)=O)c1)=O
InChI	InChI=1S/C23H15FN2O5S/c24-15-8-10-17(11-9-15)32(30,31)26-20-13-21(22(27)19-7-2-1-6-18(19)20)25-16-5-3-4-14(12-16)23(28)29/h1-13,25H,(H,28,29)
InChIK	DFKKATRUOQOBHJ-UHFFFAOYSA-N
TotalMolweight	450.445
Molweight	450.445
MonoisotopicMass	450.068571
CLogP	3.0924
CLogS	-5.691
H Acceptors	7
H Donors	2
TotalSurfaceArea	315.2
Relative PSA	0.28785
PolarSurfaceArea	121.28
Druglikeness	-3.7986
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	3
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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