(Z)-1-(4-bromophenyl)-3-[(5-chloropyridin-2-yl)amino]prop-2-en-1-one
Molecular Formula : C14H10N2OBrCl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(Z)-1-(4-bromophenyl)-3-[(5-chloropyridin-2-yl)amino]prop-2-en-1-one is a drug-like molecule.
MolName : (Z)-1-(4-bromophenyl)-3-[(5-chloropyridin-2-yl)amino]prop-2-en-1-one |
MolecularFormula : C14H10N2OBrCl |
Smiles : O=C(/C=C\Nc(cc1)ncc1Cl)c(cc1)ccc1Br |
InChI : InChI=1S/C14H10BrClN2O/c15-11-3-1-10(2-4-11)13(19)7-8-17-14-6-5-12(16)9-18-14/h1-9H,(H,17,18) |
InChIK : XELARUUIJDVDCC-UHFFFAOYSA-N |
TotalMolweight : 337.603 |
Molweight : 337.603 |
MonoisotopicMass : 335.966501 |
CLogP : 3.1562 |
CLogS : -5.086 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 221.54 |
Relative PSA : 0.16011 |
PolarSurfaceArea : 41.99 |
Druglikeness : -1.132 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.73684 |
Fragments : 1 |
Non HAtoms : 19 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Symmetricatoms : 2 |
Aromatic Nitrogens : 1 |
BasicNitrogens : 1 |
StereoCon : |