[4-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate

Formula:C26H19N2O4Br Mutagenic:high Tumorigenic:high Reproductive Effective:none [4-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate is not a drug-like molecule.

MolName[4-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
MolecularFormulaC26H19N2O4Br
SmilesO=C(Cc(c1ccccc11)ccc1Br)N/N=C\c(cc1)ccc1OC(/C=C/c1ccco1)=O
InChIInChI=1S/C26H19BrN2O4/c27-24-13-9-19(22-5-1-2-6-23(22)24)16-25(30)29-28-17-18-7-10-21(11-8-18)33-26(31)14-12-20-4-3-15-32-20/h1-15,17H,16H2,(H,29,30)
InChIKHBWOTBQUOKOPHI-UHFFFAOYSA-N
TotalMolweight503.351
Molweight503.351
MonoisotopicMass502.052819
CLogP6.0677
CLogS-7.648
H Acceptors6
H Donors1
TotalSurfaceArea357.68
Relative PSA0.20454
PolarSurfaceArea80.9
Druglikeness0.12307
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.63636
Fragments1
Non HAtoms33
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond8
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms2
Symmetricatoms2
StereoCon

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