4-[[(4Z)-1-oxo-4-thiophen-2-ylsulfonyliminonaphthalen-2-yl]amino]benzoic acid

Formula:C21H14N2O5S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-[[(4Z)-1-oxo-4-thiophen-2-ylsulfonyliminonaphthalen-2-yl]amino]benzoic acid is a drug-like molecule.

MolName	4-[[(4Z)-1-oxo-4-thiophen-2-ylsulfonyliminonaphthalen-2-yl]amino]benzoic acid
MolecularFormula	C21H14N2O5S2
Smiles	OC(c(cc1)ccc1NC(C(c1c2cccc1)=O)=C/C2=N/S(c1cccs1)(=O)=O)=O
InChI	InChI=1S/C21H14N2O5S2/c24-20-16-5-2-1-4-15(16)17(23-30(27,28)19-6-3-11-29-19)12-18(20)22-14-9-7-13(8-10-14)21(25)26/h1-12,22H,(H,25,26)
InChIK	HMKDSTGRMDFIOZ-UHFFFAOYSA-N
TotalMolweight	438.483
Molweight	438.483
MonoisotopicMass	438.034413
CLogP	2.9807
CLogS	-5.294
H Acceptors	7
H Donors	2
TotalSurfaceArea	304.79
Relative PSA	0.36448
PolarSurfaceArea	149.52
Druglikeness	0.97107
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	3
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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