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5-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid

Formula:C34H24N4O8S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 5-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid is not a drug-like molecule.
MolName5-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
MolecularFormulaC34H24N4O8S2
SmilesOS(c1c(/C=C/c(ccc(N/N=C(/c(cccc2)c2C=C2)\C2=O)c2)c2S(O)(=O)=O)ccc(N/N=C(/c(cccc2)c2C=C2)\C2=O)c1)(=O)=O
InChIInChI=1S/C34H24N4O8S2/c39-29-17-13-21-5-1-3-7-27(21)33(29)37-35-25-15-11-23(31(19-25)47(41,42)43)9-10-24-12-16-26(20-32(24)48(44,45)46)36-38-34-28-8-4-2-6-22(28)14-18-30(34)40/h1-20,35-36H,(H,41,42,43)(H,44,45,46)
InChIKPFZKMPKAXAKHKQ-UHFFFAOYSA-N
TotalMolweight680.717
Molweight680.717
MonoisotopicMass680.103556
CLogP5.3716
CLogS-5.502
H Acceptors12
H Donors4
TotalSurfaceArea479.26
Relative PSA0.32421
PolarSurfaceArea208.42
Druglikeness0.82
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms48
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond8
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms4
Symmetricatoms25
AcidicOxygens2
StereoCon

Request More Details | 5-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid


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