C20H20N2O3Cl2 | Cheminformatics

N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylideneamino]acetamide

Formula:C20H20N2O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylideneamino]acetamide is not a drug-like molecule.

MolNameN-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylideneamino]acetamide
MolecularFormulaC20H20N2O3Cl2
SmilesCC(N/N=C\c(cc1CC=C)cc(OC)c1OCc(ccc(Cl)c1)c1Cl)=O
InChIInChI=1S/C20H20Cl2N2O3/c1-4-5-15-8-14(11-23-24-13(2)25)9-19(26-3)20(15)27-12-16-6-7-17(21)10-18(16)22/h4,6-11H,1,5,12H2,2-3H3,(H,24,25)
InChIKQLWFFAHTWWRMAK-UHFFFAOYSA-N
TotalMolweight407.296
Molweight407.296
MonoisotopicMass406.085097
CLogP5.2763
CLogS-6.094
H Acceptors5
H Donors1
TotalSurfaceArea314.41
Relative PSA0.17814
PolarSurfaceArea59.92
Druglikeness0.36799
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.59259
Fragments1
Non HAtoms27
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond8
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms6
StereoCon

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