4-amino-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]benzamide

Formula:C16H14N3OCl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-amino-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]benzamide is a drug-like molecule.

MolName4-amino-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]benzamide
MolecularFormulaC16H14N3OCl
SmilesNc(cc1)ccc1C(N/N=C\C(\Cl)=C\c1ccccc1)=O
InChIInChI=1S/C16H14ClN3O/c17-14(10-12-4-2-1-3-5-12)11-19-20-16(21)13-6-8-15(18)9-7-13/h1-11H,18H2,(H,20,21)
InChIKDPLCRUQXGWMOIY-UHFFFAOYSA-N
TotalMolweight299.76
Molweight299.76
MonoisotopicMass299.082539
CLogP3.0042
CLogS-4.78
H Acceptors4
H Donors2
TotalSurfaceArea235.64
Relative PSA0.21762
PolarSurfaceArea67.48
Druglikeness4.6122
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.71429
Fragments1
Non HAtoms21
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond4
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Symmetricatoms4
Amines1
Aromatic Amines1
StereoCon

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