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3-[5-[(Z)-[[4-[[(Z)-[5-(3-carboxyphenyl)furan-2-yl]methylideneamino]carbamoyl]benzoyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid

Formula:C32H22N4O8 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[5-[(Z)-[[4-[[(Z)-[5-(3-carboxyphenyl)furan-2-yl]methylideneamino]carbamoyl]benzoyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid is not a drug-like molecule.
MolName3-[5-[(Z)-[[4-[[(Z)-[5-(3-carboxyphenyl)furan-2-yl]methylideneamino]carbamoyl]benzoyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
MolecularFormulaC32H22N4O8
SmilesOC(c1cccc(-c2ccc(/C=N\NC(c(cc3)ccc3C(N/N=C\c3ccc(-c4cccc(C(O)=O)c4)o3)=O)=O)o2)c1)=O
InChIInChI=1S/C32H22N4O8/c37-29(35-33-17-25-11-13-27(43-25)21-3-1-5-23(15-21)31(39)40)19-7-9-20(10-8-19)30(38)36-34-18-26-12-14-28(44-26)22-4-2-6-24(16-22)32(41)42/h1-18H,(H,35,37)(H,36,38)(H,39,40)(H,41,42)
InChIKUJQQQFSNCLQKJI-UHFFFAOYSA-N
TotalMolweight590.547
Molweight590.547
MonoisotopicMass590.143766
CLogP5.5916
CLogS-8.772
H Acceptors12
H Donors4
TotalSurfaceArea447.82
Relative PSA0.34058
PolarSurfaceArea183.8
Druglikeness6.3072
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.63636
Fragments1
Non HAtoms44
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond10
Rings Closures5
Small Rings5
Aromatic Rings5
Aromatic Atoms28
Sp3Atoms2
Symmetricatoms23
AcidicOxygens2
StereoCon

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