4-[[(4E)-4-naphthalen-2-ylsulfonylimino-1-oxonaphthalen-2-yl]amino]benzoic acid

Formula:C27H18N2O5S Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-[[(4E)-4-naphthalen-2-ylsulfonylimino-1-oxonaphthalen-2-yl]amino]benzoic acid is a drug-like molecule.

MolName	4-[[(4E)-4-naphthalen-2-ylsulfonylimino-1-oxonaphthalen-2-yl]amino]benzoic acid
MolecularFormula	C27H18N2O5S
Smiles	OC(c(cc1)ccc1NC(C(c1c2cccc1)=O)=C/C2=N\S(c1cc2ccccc2cc1)(=O)=O)=O
InChI	InChI=1S/C27H18N2O5S/c30-26-23-8-4-3-7-22(23)24(16-25(26)28-20-12-9-18(10-13-20)27(31)32)29-35(33,34)21-14-11-17-5-1-2-6-19(17)15-21/h1-16,28H,(H,31,32)
InChIK	BOUGCFLCXZGDOC-UHFFFAOYSA-N
TotalMolweight	482.515
Molweight	482.515
MonoisotopicMass	482.093643
CLogP	4.186
CLogS	-6.983
H Acceptors	7
H Donors	2
TotalSurfaceArea	343.45
Relative PSA	0.26417
PolarSurfaceArea	121.28
Druglikeness	-0.9451
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	3
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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