N-[(E)-[1-amino-2-(4-fluorophenoxy)ethylidene]amino]pyridine-4-carboxamide

Formula:C14H13N4O2F Mutagenic:none Tumorigenic:high Reproductive Effective:high N-[(E)-[1-amino-2-(4-fluorophenoxy)ethylidene]amino]pyridine-4-carboxamide is a drug-like molecule.

MolNameN-[(E)-[1-amino-2-(4-fluorophenoxy)ethylidene]amino]pyridine-4-carboxamide
MolecularFormulaC14H13N4O2F
SmilesN/C(/COc(cc1)ccc1F)=N/NC(c1ccncc1)=O
InChIInChI=1S/C14H13FN4O2/c15-11-1-3-12(4-2-11)21-9-13(16)18-19-14(20)10-5-7-17-8-6-10/h1-8H,9H2,(H2,16,18)(H,19,20)
InChIKYUKGCBWCTBIAOC-UHFFFAOYSA-N
TotalMolweight288.281
Molweight288.281
MonoisotopicMass288.102254
CLogP1.0304
CLogS-2.785
H Acceptors6
H Donors2
TotalSurfaceArea222.59
Relative PSA0.32459
PolarSurfaceArea89.6
Druglikeness1.419
Mutagenicnone
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functionsacyl-hydrazone
Shape Index0.71429
Fragments1
Non HAtoms21
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Symmetricatoms4
Aromatic Nitrogens1
StereoCon

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