MolName : 3-chloro-N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]benzohydrazide |
MolecularFormula : C16H12N3O4Cl |
Smiles : [O-][N+](c1cccc(/C=C/C(NNC(c2cccc(Cl)c2)=O)=O)c1)=O |
InChI : InChI=1S/C16H12ClN3O4/c17-13-5-2-4-12(10-13)16(22)19-18-15(21)8-7-11-3-1-6-14(9-11)20(23)24/h1-10H,(H,18,21)(H,19,22) |
InChIK : HEFLXIOYBSOMBR-UHFFFAOYSA-N |
TotalMolweight : 345.741 |
Molweight : 345.741 |
MonoisotopicMass : 345.051634 |
CLogP : 1.6312 |
CLogS : -4.876 |
H Acceptors : 7 |
H Donors : 2 |
TotalSurfaceArea : 257.03 |
Relative PSA : 0.30899 |
PolarSurfaceArea : 104.02 |
Druglikeness : -4.4702 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.625 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 5 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 1 |
AcidicOxygens : 1 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |