N-[(E)-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino]benzamide

Formula:C16H13N2OF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino]benzamide is a drug-like molecule.

MolNameN-[(E)-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino]benzamide
MolecularFormulaC16H13N2OF3
SmilesO=C(c1ccccc1)N/N=C(\Cc1ccccc1)/C(F)(F)F
InChIInChI=1S/C16H13F3N2O/c17-16(18,19)14(11-12-7-3-1-4-8-12)20-21-15(22)13-9-5-2-6-10-13/h1-10H,11H2,(H,21,22)
InChIKGNWQVTOUCQSGTK-UHFFFAOYSA-N
TotalMolweight306.286
Molweight306.286
MonoisotopicMass306.097997
CLogP3.9135
CLogS-4.562
H Acceptors3
H Donors1
TotalSurfaceArea228.42
Relative PSA0.15765
PolarSurfaceArea41.46
Druglikeness-8.2674
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone
Shape Index0.59091
Fragments1
Non HAtoms22
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Symmetricatoms6
StereoCon

Request More Details | N-[(E)-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino]benzamide


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments