[(E)-[(4-bromophenyl)-morpholin-4-ylmethylidene]amino] benzoate
Molecular Formula : C18H17N2O3Br | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |[(E)-[(4-bromophenyl)-morpholin-4-ylmethylidene]amino] benzoate is a drug-like molecule.
MolName : [(E)-[(4-bromophenyl)-morpholin-4-ylmethylidene]amino] benzoate |
MolecularFormula : C18H17N2O3Br |
Smiles : O=C(c1ccccc1)O/N=C(\c(cc1)ccc1Br)/N1CCOCC1 |
InChI : InChI=1S/C18H17BrN2O3/c19-16-8-6-14(7-9-16)17(21-10-12-23-13-11-21)20-24-18(22)15-4-2-1-3-5-15/h1-9H,10-13H2 |
InChIK : PDICIGCBTUFUDQ-UHFFFAOYSA-N |
TotalMolweight : 389.248 |
Molweight : 389.248 |
MonoisotopicMass : 388.042254 |
CLogP : 4.3843 |
CLogS : -3.991 |
H Acceptors : 5 |
TotalSurfaceArea : 264.21 |
Relative PSA : 0.18205 |
PolarSurfaceArea : 51.13 |
Druglikeness : -2.4928 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.54167 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 6 |
Symmetricatoms : 6 |
StereoCon : |