(3E)-2,5-bis(4-chlorophenyl)-3-hydrazinylidene-4-oxohexanedinitrile
Molecular Formula : C18H12N4OCl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |(3E)-2,5-bis(4-chlorophenyl)-3-hydrazinylidene-4-oxohexanedinitrile is a drug-like molecule.
MolName : (3E)-2,5-bis(4-chlorophenyl)-3-hydrazinylidene-4-oxohexanedinitrile |
MolecularFormula : C18H12N4OCl2 |
Smiles : N/N=C(\C(c(cc1)ccc1Cl)C#N)/C(C(c(cc1)ccc1Cl)C#N)=O |
InChI : InChI=1S/C18H12Cl2N4O/c19-13-5-1-11(2-6-13)15(9-21)17(24-23)18(25)16(10-22)12-3-7-14(20)8-4-12/h1-8,15-16H,23H2 |
InChIK : WZZDCVFKWCYXCM-UHFFFAOYSA-N |
TotalMolweight : 371.226 |
Molweight : 371.226 |
MonoisotopicMass : 370.038815 |
CLogP : 3.1959 |
CLogS : -6.055 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 281.52 |
Relative PSA : 0.23778 |
PolarSurfaceArea : 103.03 |
Druglikeness : -5.2888 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : |
Shape Index : 0.56 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
StereoCenters : 2 |
Rotatable Bond : 5 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 2 |
Symmetricatoms : 4 |
StereoCon : unknown chirality |