4-(2,4-dichlorophenoxy)-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]butanehydrazide

Formula:C23H20N2O3Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-(2,4-dichlorophenoxy)-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]butanehydrazide is a drug-like molecule.

MolName4-(2,4-dichlorophenoxy)-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]butanehydrazide
MolecularFormulaC23H20N2O3Cl2
SmilesO=C(CCCOc(ccc(Cl)c1)c1Cl)NNC(/C=C/c1cccc2ccccc12)=O
InChIInChI=1S/C23H20Cl2N2O3/c24-18-11-12-21(20(25)15-18)30-14-4-9-22(28)26-27-23(29)13-10-17-7-3-6-16-5-1-2-8-19(16)17/h1-3,5-8,10-13,15H,4,9,14H2,(H,26,28)(H,27,29)
InChIKFVNRBGGLAJDXFA-UHFFFAOYSA-N
TotalMolweight443.329
Molweight443.329
MonoisotopicMass442.085097
CLogP4.8369
CLogS-7.078
H Acceptors5
H Donors2
TotalSurfaceArea334.66
Relative PSA0.1763
PolarSurfaceArea67.43
Druglikeness-3.4024
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functions
Shape Index0.66667
Fragments1
Non HAtoms30
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms4
StereoCon

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