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C25H16N4O7 | Cheminformatics
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4-[5-[(Z)-[[(Z)-[5-(4-carboxylatophenyl)furan-2-yl]methylideneamino]carbamoylhydrazinylidene]methyl]furan-2-yl]benzoate

Molecular Formula : C25H16N4O7 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
4-[5-[(Z)-[[(Z)-[5-(4-carboxylatophenyl)furan-2-yl]methylideneamino]carbamoylhydrazinylidene]methyl]furan-2-yl]benzoate is not a drug-like molecule.

MolName : 4-[5-[(Z)-[[(Z)-[5-(4-carboxylatophenyl)furan-2-yl]methylideneamino]carbamoylhydrazinylidene]methyl]furan-2-yl]benzoate

MolecularFormula : C25H16N4O7

Smiles : [O-]C(c(cc1)ccc1-c1ccc(/C=N\NC(N/N=C\c2ccc(-c(cc3)ccc3C([O-])=O)o2)=O)o1)=O

InChI : InChI=1S/C25H18N4O7/c30-23(31)17-5-1-15(2-6-17)21-11-9-19(35-21)13-26-28-25(34)29-27-14-20-10-12-22(36-20)16-3-7-18(8-4-16)24(32)33/h1-14H,(H,30,31)(H,32,33)(H2,28,29,34)/p-2

InChIK : CKGVUWHGRYRYNE-UHFFFAOYSA-L

TotalMolweight : 484.423

Molweight : 484.423

MonoisotopicMass : 484.101901

CLogP : 0.286

CLogS : -7.776

H Acceptors : 11

H Donors : 2

TotalSurfaceArea : 372.67

Relative PSA : 0.3806

PolarSurfaceArea : 172.39

Druglikeness : 5.7358

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.69444

Fragments : 1

Non HAtoms : 36

NonCHAtoms : 11

Electronegative Atoms : 11

Rotatable Bond : 8

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 4

Aromatic Atoms : 22

Sp3Atoms : 2

Symmetricatoms : 19

AcidicOxygens : 2

StereoCon :

Click to Load Molecule:
1 - 4-[5-[(Z)-[[(Z)-[5-(4-carboxylatophenyl)furan-2-yl]methylideneamino]carbamoylhydrazinylidene]methyl]furan-2-yl]benzoate
2 - 4-[5-[(Z)-[[(Z)-[5-(4-carboxylatophenyl)furan-2-yl]methylideneamino]carbamoylhydrazinylidene]methyl]furan-2-yl]benzoate
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