Menu

(5Z)-6-oxo-5-[[4-[4-[(2Z)-2-(2-oxo-6-sulfonaphthalen-1-ylidene)hydrazinyl]phenyl]sulfanylphenyl]hydrazinylidene]naphthalene-2-sulfonic acid

Formula:C32H22N4O8S3 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5Z)-6-oxo-5-[[4-[4-[(2Z)-2-(2-oxo-6-sulfonaphthalen-1-ylidene)hydrazinyl]phenyl]sulfanylphenyl]hydrazinylidene]naphthalene-2-sulfonic acid is not a drug-like molecule.
MolName(5Z)-6-oxo-5-[[4-[4-[(2Z)-2-(2-oxo-6-sulfonaphthalen-1-ylidene)hydrazinyl]phenyl]sulfanylphenyl]hydrazinylidene]naphthalene-2-sulfonic acid
MolecularFormulaC32H22N4O8S3
SmilesOS(c(cc1)cc(C=CC2=O)c1/C2=N/Nc(cc1)ccc1Sc(cc1)ccc1N/N=C(/c(cc1)c(C=C2)cc1S(O)(=O)=O)\C2=O)(=O)=O
InChIInChI=1S/C32H22N4O8S3/c37-29-15-1-19-17-25(46(39,40)41)11-13-27(19)31(29)35-33-21-3-7-23(8-4-21)45-24-9-5-22(6-10-24)34-36-32-28-14-12-26(47(42,43)44)18-20(28)2-16-30(32)38/h1-18,33-34H,(H,39,40,41)(H,42,43,44)
InChIKOJAXFXNJSOMMFI-UHFFFAOYSA-N
TotalMolweight686.745
Molweight686.745
MonoisotopicMass686.059976
CLogP4.9857
CLogS-5.152
H Acceptors12
H Donors4
TotalSurfaceArea470.25
Relative PSA0.36761
PolarSurfaceArea233.72
Druglikeness2.17
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritanthigh
Nasty Functions
Shape Index0.57447
Fragments1
Non HAtoms47
NonCHAtoms15
Electronegative Atoms15
Rotatable Bond8
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms5
Symmetricatoms26
AcidicOxygens2
StereoCon

Request More Details | (5Z)-6-oxo-5-[[4-[4-[(2Z)-2-(2-oxo-6-sulfonaphthalen-1-ylidene)hydrazinyl]phenyl]sulfanylphenyl]hydrazinylidene]naphthalene-2-sulfonic acid


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments