2-benzyl-5-[(E)-2-(furan-2-yl)ethenyl]-3,4-dihydropyrazole
Molecular Formula : C16H16N2O | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |2-benzyl-5-[(E)-2-(furan-2-yl)ethenyl]-3,4-dihydropyrazole is a drug-like molecule.
MolName : 2-benzyl-5-[(E)-2-(furan-2-yl)ethenyl]-3,4-dihydropyrazole |
MolecularFormula : C16H16N2O |
Smiles : C(c1ccccc1)N(CC1)N=C1/C=C/c1ccco1 |
InChI : InChI=1S/C16H16N2O/c1-2-5-14(6-3-1)13-18-11-10-15(17-18)8-9-16-7-4-12-19-16/h1-9,12H,10-11,13H2 |
InChIK : TZJJEWQIWXRFAJ-UHFFFAOYSA-N |
TotalMolweight : 252.316 |
Molweight : 252.316 |
MonoisotopicMass : 252.126263 |
CLogP : 2.8123 |
CLogS : -3.391 |
H Acceptors : 3 |
TotalSurfaceArea : 210.26 |
Relative PSA : 0.13873 |
PolarSurfaceArea : 28.74 |
Druglikeness : 3.4531 |
Mutagenic : high |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.68421 |
Fragments : 1 |
Non HAtoms : 19 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 4 |
Symmetricatoms : 2 |
StereoCon : |