N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]piperidine-4-carboxamide
Molecular Formula : C13H15N4O3Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]piperidine-4-carboxamide is a drug-like molecule.
MolName : N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]piperidine-4-carboxamide |
MolecularFormula : C13H15N4O3Cl |
Smiles : [O-][N+](c(cc1)cc(/C=N\NC(C2CCNCC2)=O)c1Cl)=O |
InChI : InChI=1S/C13H15ClN4O3/c14-12-2-1-11(18(20)21)7-10(12)8-16-17-13(19)9-3-5-15-6-4-9/h1-2,7-9,15H,3-6H2,(H,17,19) |
InChIK : GGVWZDVNAFJIPE-UHFFFAOYSA-N |
TotalMolweight : 310.74 |
Molweight : 310.74 |
MonoisotopicMass : 310.083268 |
CLogP : -0.5846 |
CLogS : -4.048 |
H Acceptors : 7 |
H Donors : 2 |
TotalSurfaceArea : 231.82 |
Relative PSA : 0.33599 |
PolarSurfaceArea : 99.31 |
Druglikeness : 0.45712 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.61905 |
Fragments : 1 |
Non HAtoms : 21 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 7 |
Symmetricatoms : 2 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
AcidicOxygens : 1 |
StereoCon : |