2,2,2-trichloro-1-[(Z)-[morpholin-4-yl(phenyl)methylidene]amino]ethanol
Molecular Formula : C13H15N2O2Cl3 | Mutagenic : high | Tumorigenic : low | Reproductive Effective : high |2,2,2-trichloro-1-[(Z)-[morpholin-4-yl(phenyl)methylidene]amino]ethanol is a drug-like molecule.
MolName : 2,2,2-trichloro-1-[(Z)-[morpholin-4-yl(phenyl)methylidene]amino]ethanol |
MolecularFormula : C13H15N2O2Cl3 |
Smiles : OC(C(Cl)(Cl)Cl)/N=C(/c1ccccc1)\N1CCOCC1 |
InChI : InChI=1S/C13H15Cl3N2O2/c14-13(15,16)12(19)17-11(10-4-2-1-3-5-10)18-6-8-20-9-7-18/h1-5,12,19H,6-9H2/t12-/m0/s1 |
InChIK : IVTFHECIZMPKIO-LBPRGKRZSA-N |
TotalMolweight : 337.633 |
Molweight : 337.633 |
MonoisotopicMass : 336.019909 |
CLogP : 2.6034 |
CLogS : -2.697 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 233.59 |
Relative PSA : 0.16336 |
PolarSurfaceArea : 45.06 |
Druglikeness : 2.0372 |
Mutagenic : high |
Tumorigenic : low |
Reproductive Effective : high |
Irritant : high |
Nasty Functions : |
Shape Index : 0.45 |
Fragments : 1 |
Non HAtoms : 20 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
StereoCenters : 1 |
Rotatable Bond : 3 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 8 |
Symmetricatoms : 6 |
BasicNitrogens : 1 |
StereoCon : racemate |