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3-[[4-[[4-[(2Z)-2-(6-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]-6-sulfonaphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonic acid

Formula:C40H27N7O13S4 Mutagenic:high Tumorigenic:high Reproductive Effective:high 3-[[4-[[4-[(2Z)-2-(6-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]-6-sulfonaphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonic acid is not a drug-like molecule.
MolName3-[[4-[[4-[(2Z)-2-(6-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]-6-sulfonaphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonic acid
MolecularFormulaC40H27N7O13S4
SmilesNc(cc1)cc(C=C(/C2=N\Nc(c3cc(S(O)(=O)=O)ccc33)ccc3/N=N/c(c3ccccc33)ccc3/N=N/c(cc(c3ccc4)S(O)(=O)=O)cc3c4S(O)(=O)=O)S(O)(=O)=O)c1C2=O
InChIInChI=1S/C40H27N7O13S4/c41-22-8-10-25-21(16-22)17-38(64(58,59)60)39(40(25)48)47-46-35-15-14-34(28-11-9-24(20-30(28)35)61(49,50)51)45-44-33-13-12-32(26-4-1-2-5-27(26)33)43-42-23-18-31-29(37(19-23)63(55,56)57)6-3-7-36(31)62(52,53)54/h1-20,46H,41H2,(H,49,50,
InChIKAZEPQBUJVNXHJS-UHFFFAOYSA-N
TotalMolweight941.954
Molweight941.954
MonoisotopicMass941.054968
CLogP3.1535
CLogS-9.095
H Acceptors20
H Donors6
TotalSurfaceArea614.01
Relative PSA0.43003
PolarSurfaceArea367.92
Druglikeness-5.5467
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsazo
Shape Index0.42188
Fragments1
Non HAtoms64
NonCHAtoms24
Electronegative Atoms24
Rotatable Bond10
Rings Closures8
Small Rings8
Aromatic Rings7
Aromatic Atoms36
Sp3Atoms8
Symmetricatoms4
Amines1
Aromatic Amines1
AcidicOxygens4
StereoCon

Request More Details | 3-[[4-[[4-[(2Z)-2-(6-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]-6-sulfonaphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonic acid


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