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MolName : N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-1-[(2,4-dichlorophenyl)methyl]pyrazole-3-carboxamide

MolecularFormula : C22H15N4O2BrCl2

Smiles : O=C(c1nn(Cc(ccc(Cl)c2)c2Cl)cc1)N/N=C\c1ccc(-c(cc2)ccc2Br)o1

InChI : InChI=1S/C22H15BrCl2N4O2/c23-16-4-1-14(2-5-16)21-8-7-18(31-21)12-26-27-22(30)20-9-10-29(28-20)13-15-3-6-17(24)11-19(15)25/h1-12H,13H2,(H,27,30)

InChIK : CQFNCAZAPDYPHI-UHFFFAOYSA-N

TotalMolweight : 518.197

Molweight : 518.197

MonoisotopicMass : 515.975541

CLogP : 5.5515

CLogS : -7.068

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 347.39

Relative PSA : 0.19563

PolarSurfaceArea : 72.42

Druglikeness : 7.1292

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.67742

Fragments : 1

Non HAtoms : 31

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 4

Aromatic Atoms : 22

Sp3Atoms : 1

Symmetricatoms : 2

Aromatic Nitrogens : 2

StereoCon :