MolName : N-[(Z)-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]aniline |
MolecularFormula : C22H20N4 |
Smiles : C(C1)C(c2ccccc2)=NN1c1ccc(/C=N\Nc2ccccc2)cc1 |
InChI : InChI=1S/C22H20N4/c1-3-7-19(8-4-1)22-15-16-26(25-22)21-13-11-18(12-14-21)17-23-24-20-9-5-2-6-10-20/h1-14,17,24H,15-16H2 |
InChIK : FIAYCSVNVQWWRY-UHFFFAOYSA-N |
TotalMolweight : 340.429 |
Molweight : 340.429 |
MonoisotopicMass : 340.168796 |
CLogP : 6.7871 |
CLogS : -4.988 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 276.29 |
Relative PSA : 0.13765 |
PolarSurfaceArea : 39.99 |
Druglikeness : 4.7225 |
Mutagenic : none |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.69231 |
Fragments : 1 |
Non HAtoms : 26 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 5 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 18 |
Sp3Atoms : 2 |
Symmetricatoms : 6 |
StereoCon : |