4-(2-amino-2-oxoethoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide

Formula:C16H13N3O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-(2-amino-2-oxoethoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide is a drug-like molecule.

MolName4-(2-amino-2-oxoethoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
MolecularFormulaC16H13N3O3Cl2
SmilesNC(COc(cc1)ccc1C(N/N=C\c(ccc(Cl)c1)c1Cl)=O)=O
InChIInChI=1S/C16H13Cl2N3O3/c17-12-4-1-11(14(18)7-12)8-20-21-16(23)10-2-5-13(6-3-10)24-9-15(19)22/h1-8H,9H2,(H2,19,22)(H,21,23)
InChIKMRALQMJDJCVBDN-UHFFFAOYSA-N
TotalMolweight366.203
Molweight366.203
MonoisotopicMass365.033396
CLogP3.0758
CLogS-5.062
H Acceptors6
H Donors2
TotalSurfaceArea267.86
Relative PSA0.27746
PolarSurfaceArea93.78
Druglikeness4.5742
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.70833
Fragments1
Non HAtoms24
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Symmetricatoms2
Amides1
StereoCon

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