N-[(Z)-(6-fluoro-2,3-dihydrochromen-4-ylidene)amino]pyridine-4-carboxamide
Molecular Formula : C15H12N3O2F | Mutagenic : none | Tumorigenic : high | Reproductive Effective : high |N-[(Z)-(6-fluoro-2,3-dihydrochromen-4-ylidene)amino]pyridine-4-carboxamide is a drug-like molecule.
MolName : N-[(Z)-(6-fluoro-2,3-dihydrochromen-4-ylidene)amino]pyridine-4-carboxamide |
MolecularFormula : C15H12N3O2F |
Smiles : O=C(c1ccncc1)N/N=C1\c(cc(cc2)F)c2OCC1 |
InChI : InChI=1S/C15H12FN3O2/c16-11-1-2-14-12(9-11)13(5-8-21-14)18-19-15(20)10-3-6-17-7-4-10/h1-4,6-7,9H,5,8H2,(H,19,20) |
InChIK : OUWSIGVASXJRBD-UHFFFAOYSA-N |
TotalMolweight : 285.277 |
Molweight : 285.277 |
MonoisotopicMass : 285.091355 |
CLogP : 2.3852 |
CLogS : -3.734 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 214.33 |
Relative PSA : 0.26585 |
PolarSurfaceArea : 63.58 |
Druglikeness : 1.5082 |
Mutagenic : none |
Tumorigenic : high |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : acyl-hydrazone |
Shape Index : 0.57143 |
Fragments : 1 |
Non HAtoms : 21 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 2 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 3 |
Symmetricatoms : 2 |
Aromatic Nitrogens : 1 |
StereoCon : |