(2E)-2-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]chromene-3-carboxamide

Formula:C18H14N3O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high (2E)-2-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]chromene-3-carboxamide is a drug-like molecule.

MolName(2E)-2-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]chromene-3-carboxamide
MolecularFormulaC18H14N3O4Cl
SmilesNC(C1=Cc(cccc2)c2O/C1=N/NC(COc(cc1)ccc1Cl)=O)=O
InChIInChI=1S/C18H14ClN3O4/c19-12-5-7-13(8-6-12)25-10-16(23)21-22-18-14(17(20)24)9-11-3-1-2-4-15(11)26-18/h1-9H,10H2,(H2,20,24)(H,21,23)
InChIKZOMZUKBSSMILJF-UHFFFAOYSA-N
TotalMolweight371.779
Molweight371.779
MonoisotopicMass371.067284
CLogP2.0531
CLogS-4.342
H Acceptors7
H Donors2
TotalSurfaceArea271.86
Relative PSA0.31016
PolarSurfaceArea103.01
Druglikeness4.7638
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionstwice activated DB; acyl-hydrazone
Shape Index0.61538
Fragments1
Non HAtoms26
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms3
Symmetricatoms2
Amides1
StereoCon

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