5-amino-2-[(E)-2-(4-amino-2-sulfonatophenyl)ethenyl]benzenesulfonate

Formula:C14H12N2O6S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 5-amino-2-[(E)-2-(4-amino-2-sulfonatophenyl)ethenyl]benzenesulfonate is a drug-like molecule.

MolName	5-amino-2-[(E)-2-(4-amino-2-sulfonatophenyl)ethenyl]benzenesulfonate
MolecularFormula	C14H12N2O6S2
Smiles	Nc1cc(S([O-])(=O)=O)c(/C=C/c(ccc(N)c2)c2S([O-])(=O)=O)cc1
InChI	InChI=1S/C14H14N2O6S2/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22)/p-2
InChIK	REJHVSOVQBJEBF-UHFFFAOYSA-L
TotalMolweight	368.389
Molweight	368.389
MonoisotopicMass	368.013678
CLogP	-4.4418
CLogS	-1.116
H Acceptors	8
H Donors	2
TotalSurfaceArea	248.78
Relative PSA	0.46732
PolarSurfaceArea	183.2
Druglikeness	-10.094
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	24
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	13
Amines	2
Aromatic Amines	2
AcidicOxygens	2
StereoCon

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