[3-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate

Formula:C25H18N2O5 Mutagenic:high Tumorigenic:none Reproductive Effective:none [3-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.

MolName[3-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate
MolecularFormulaC25H18N2O5
SmilesOc1cc2ccccc2cc1C(N/N=C\c1cc(OC(/C=C\c2ccco2)=O)ccc1)=O
InChIInChI=1S/C25H18N2O5/c28-23-15-19-7-2-1-6-18(19)14-22(23)25(30)27-26-16-17-5-3-8-21(13-17)32-24(29)11-10-20-9-4-12-31-20/h1-16,28H,(H,27,30)
InChIKMDFRDBCJVGIHGA-UHFFFAOYSA-N
TotalMolweight426.427
Molweight426.427
MonoisotopicMass426.121573
CLogP4.9987
CLogS-6.553
H Acceptors7
H Donors2
TotalSurfaceArea331.64
Relative PSA0.2601
PolarSurfaceArea101.13
Druglikeness1.8325
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.625
Fragments1
Non HAtoms32
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms2
StereoCon

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