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5-[(1-hydroxynaphthalene-2-carbonyl)amino]-2-[(E)-2-[4-[(1-hydroxynaphthalene-2-carbonyl)amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid

Formula:C36H26N2O10S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 5-[(1-hydroxynaphthalene-2-carbonyl)amino]-2-[(E)-2-[4-[(1-hydroxynaphthalene-2-carbonyl)amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid is not a drug-like molecule.
MolName5-[(1-hydroxynaphthalene-2-carbonyl)amino]-2-[(E)-2-[4-[(1-hydroxynaphthalene-2-carbonyl)amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
MolecularFormulaC36H26N2O10S2
SmilesOc(c1ccccc1cc1)c1C(Nc1cc(S(O)(=O)=O)c(/C=C/c(ccc(NC(c(ccc2ccccc22)c2O)=O)c2)c2S(O)(=O)=O)cc1)=O
InChIInChI=1S/C36H26N2O10S2/c39-33-27-7-3-1-5-21(27)13-17-29(33)35(41)37-25-15-11-23(31(19-25)49(43,44)45)9-10-24-12-16-26(20-32(24)50(46,47)48)38-36(42)30-18-14-22-6-2-4-8-28(22)34(30)40/h1-20,39-40H,(H,37,41)(H,38,42)(H,43,44,45)(H,46,47,48)
InChIKOQALIHIVYVLZLR-UHFFFAOYSA-N
TotalMolweight710.738
Molweight710.738
MonoisotopicMass710.102888
CLogP3.4004
CLogS-6.608
H Acceptors12
H Donors6
TotalSurfaceArea489.22
Relative PSA0.32411
PolarSurfaceArea224.16
Druglikeness-2.706
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.52
Fragments1
Non HAtoms50
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond8
Rings Closures6
Small Rings6
Aromatic Rings6
Aromatic Atoms32
Sp3Atoms6
Symmetricatoms26
Amides2
AcidicOxygens2
StereoCon

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