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MolName : 5-bromo-N-[(Z)-[5-(4-iodophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide

MolecularFormula : C17H11N3O2BrI

Smiles : O=C(c1cncc(Br)c1)N/N=C\c1ccc(-c(cc2)ccc2I)o1

InChI : InChI=1S/C17H11BrIN3O2/c18-13-7-12(8-20-9-13)17(23)22-21-10-15-5-6-16(24-15)11-1-3-14(19)4-2-11/h1-10H,(H,22,23)

InChIK : QDHQUOPVBFRCEC-UHFFFAOYSA-N

TotalMolweight : 496.097

Molweight : 496.097

MonoisotopicMass : 494.907936

CLogP : 4.3019

CLogS : -6.236

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 280.11

Relative PSA : 0.21809

PolarSurfaceArea : 67.49

Druglikeness : 5.0605

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 17

Symmetricatoms : 2

Aromatic Nitrogens : 1

StereoCon :