(2E)-2-(nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane
Molecular Formula : C14H19N3O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(2E)-2-(nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane is a drug-like molecule.
MolName : (2E)-2-(nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane |
MolecularFormula : C14H19N3O2 |
Smiles : [O-][N+](/C=C1/N(CCCc2ccccc2)CCCN1)=O |
InChI : InChI=1S/C14H19N3O2/c18-17(19)12-14-15-9-5-11-16(14)10-4-8-13-6-2-1-3-7-13/h1-3,6-7,12,15H,4-5,8-11H2 |
InChIK : KXMLBHLWLFZDFP-UHFFFAOYSA-N |
TotalMolweight : 261.324 |
Molweight : 261.324 |
MonoisotopicMass : 261.147727 |
CLogP : 1.5775 |
CLogS : -3.807 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 212.46 |
Relative PSA : 0.21383 |
PolarSurfaceArea : 61.09 |
Druglikeness : -2.9506 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.63158 |
Fragments : 1 |
Non HAtoms : 19 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 5 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 7 |
Symmetricatoms : 2 |
AcidicOxygens : 1 |
StereoCon : |