Menu

(7Z)-8-oxo-7-[[4-[4-[(2Z)-2-(2-oxo-8-sulfonaphthalen-1-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]naphthalene-1,6-disulfonic acid

Formula:C32H22N4O11S3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (7Z)-8-oxo-7-[[4-[4-[(2Z)-2-(2-oxo-8-sulfonaphthalen-1-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]naphthalene-1,6-disulfonic acid is not a drug-like molecule.
MolName(7Z)-8-oxo-7-[[4-[4-[(2Z)-2-(2-oxo-8-sulfonaphthalen-1-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]naphthalene-1,6-disulfonic acid
MolecularFormulaC32H22N4O11S3
SmilesOS(c(cccc1C=CC2=O)c1/C2=N/Nc(cc1)ccc1-c(cc1)ccc1N/N=C(\C(S(O)(=O)=O)=Cc1c2c(S(O)(=O)=O)ccc1)/C2=O)(=O)=O
InChIInChI=1S/C32H22N4O11S3/c37-24-16-11-20-3-1-5-25(48(39,40)41)28(20)30(24)35-33-22-12-7-18(8-13-22)19-9-14-23(15-10-19)34-36-31-27(50(45,46)47)17-21-4-2-6-26(49(42,43)44)29(21)32(31)38/h1-17,33-34H,(H,39,40,41)(H,42,43,44)(H,45,46,47)
InChIKFLIDPODXUSYRQS-UHFFFAOYSA-N
TotalMolweight734.742
Molweight734.742
MonoisotopicMass734.044721
CLogP2.7135
CLogS-4.966
H Acceptors15
H Donors5
TotalSurfaceArea485.9
Relative PSA0.40556
PolarSurfaceArea271.17
Druglikeness-5.408
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.46
Fragments1
Non HAtoms50
NonCHAtoms18
Electronegative Atoms18
Rotatable Bond8
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms6
Symmetricatoms7
AcidicOxygens3
StereoCon

Request More Details | (7Z)-8-oxo-7-[[4-[4-[(2Z)-2-(2-oxo-8-sulfonaphthalen-1-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]naphthalene-1,6-disulfonic acid


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