Menu

(3Z)-3-[[4-[[2-[(2Z)-2-(7-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]carbamoyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid

Formula:C30H22N6O8S Mutagenic:high Tumorigenic:high Reproductive Effective:none (3Z)-3-[[4-[[2-[(2Z)-2-(7-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]carbamoyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid is not a drug-like molecule.
MolName(3Z)-3-[[4-[[2-[(2Z)-2-(7-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]carbamoyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid
MolecularFormulaC30H22N6O8S
SmilesNc(cc1)cc(C(/C2=N/Nc(cccc3)c3NC(c(cc3)ccc3N/N=C(/C=C3)\C=C(C(O)=O)C3=O)=O)=O)c1C=C2S(O)(=O)=O
InChIInChI=1S/C30H22N6O8S/c31-18-8-5-17-13-26(45(42,43)44)27(28(38)21(17)14-18)36-35-24-4-2-1-3-23(24)32-29(39)16-6-9-19(10-7-16)33-34-20-11-12-25(37)22(15-20)30(40)41/h1-15,33,35H,31H2,(H,32,39)(H,40,41)(H,42,43,44)
InChIKFFBYSWRAKRDKEW-UHFFFAOYSA-N
TotalMolweight626.605
Molweight626.605
MonoisotopicMass626.121984
CLogP3.838
CLogS-5.177
H Acceptors14
H Donors6
TotalSurfaceArea442.82
Relative PSA0.4056
PolarSurfaceArea238.09
Druglikeness2.4548
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functionstwice activated DB
Shape Index0.51111
Fragments1
Non HAtoms45
NonCHAtoms15
Electronegative Atoms15
Rotatable Bond8
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms3
Symmetricatoms3
Amides1
Amines1
Aromatic Amines1
AcidicOxygens2
StereoCon

Request More Details | (3Z)-3-[[4-[[2-[(2Z)-2-(7-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]carbamoyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid


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