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(3Z)-4-oxo-7-[[(6Z)-5-oxo-6-(phenylhydrazinylidene)-7-sulfonaphthalen-2-yl]amino]-3-(phenylhydrazinylidene)naphthalene-2-sulfonic acid

Formula:C32H23N5O8S2 Mutagenic:none Tumorigenic:high Reproductive Effective:none (3Z)-4-oxo-7-[[(6Z)-5-oxo-6-(phenylhydrazinylidene)-7-sulfonaphthalen-2-yl]amino]-3-(phenylhydrazinylidene)naphthalene-2-sulfonic acid is not a drug-like molecule.
MolName(3Z)-4-oxo-7-[[(6Z)-5-oxo-6-(phenylhydrazinylidene)-7-sulfonaphthalen-2-yl]amino]-3-(phenylhydrazinylidene)naphthalene-2-sulfonic acid
MolecularFormulaC32H23N5O8S2
SmilesOS(C(/C1=N\Nc2ccccc2)=Cc(cc(cc2)Nc(cc3)cc(C=C(/C4=N\Nc5ccccc5)S(O)(=O)=O)c3C4=O)c2C1=O)(=O)=O
InChIInChI=1S/C32H23N5O8S2/c38-31-25-13-11-23(15-19(25)17-27(46(40,41)42)29(31)36-34-21-7-3-1-4-8-21)33-24-12-14-26-20(16-24)18-28(47(43,44)45)30(32(26)39)37-35-22-9-5-2-6-10-22/h1-18,33-35H,(H,40,41,42)(H,43,44,45)
InChIKWXXWPHAILMTLCO-UHFFFAOYSA-N
TotalMolweight669.694
Molweight669.694
MonoisotopicMass669.098805
CLogP4.933
CLogS-6.76
H Acceptors13
H Donors5
TotalSurfaceArea460.64
Relative PSA0.36219
PolarSurfaceArea220.45
Druglikeness-0.32444
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.53191
Fragments1
Non HAtoms47
NonCHAtoms15
Electronegative Atoms15
Rotatable Bond8
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms4
Symmetricatoms26
Amines1
Aromatic Amines1
AcidicOxygens2
StereoCon

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