(5-bromofuran-2-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone
Molecular Formula : C18H20N2O2Br | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(5-bromofuran-2-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone is a drug-like molecule.
MolName : (5-bromofuran-2-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone |
MolecularFormula : C18H20N2O2Br |
Smiles : O=C(c(o1)ccc1Br)N1CC[NH+](C/C=C/c2ccccc2)CC1 |
InChI : InChI=1S/C18H19BrN2O2/c19-17-9-8-16(23-17)18(22)21-13-11-20(12-14-21)10-4-7-15-5-2-1-3-6-15/h1-9H,10-14H2/p+1 |
InChIK : USZCXVACDLGCQB-UHFFFAOYSA-O |
TotalMolweight : 376.273 |
Molweight : 376.273 |
MonoisotopicMass : 375.070814 |
CLogP : 1.5242 |
CLogS : -2.947 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 275.53 |
Relative PSA : 0.17526 |
PolarSurfaceArea : 37.89 |
Druglikeness : 1.0767 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.69565 |
Fragments : 1 |
Non HAtoms : 23 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 6 |
Symmetricatoms : 4 |
Amides : 1 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |