(Z,2E)-3-benzylimino-5-(dimethylamino)-2-[1-(diphenylboranylamino)-2,2,2-trifluoroethylidene]-1-phenylpent-4-en-1-one

Formula:C34H31N3OBF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z,2E)-3-benzylimino-5-(dimethylamino)-2-[1-(diphenylboranylamino)-2,2,2-trifluoroethylidene]-1-phenylpent-4-en-1-one is not a drug-like molecule.

MolName	(Z,2E)-3-benzylimino-5-(dimethylamino)-2-[1-(diphenylboranylamino)-2,2,2-trifluoroethylidene]-1-phenylpent-4-en-1-one
MolecularFormula	C34H31N3OBF3
Smiles	CN(C)/C=C\C(\C(/C(c1ccccc1)=O)=C(/C(F)(F)F)\NB(c1ccccc1)c1ccccc1)=N/Cc1ccccc1
InChI	InChI=1S/C34H31BF3N3O/c1-41(2)24-23-30(39-25-26-15-7-3-8-16-26)31(32(42)27-17-9-4-10-18-27)33(34(36,37)38)40-35(28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-24,40H,25H2,1-2H3
InChIK	UCQXFLUQOQQCNR-UHFFFAOYSA-N
TotalMolweight	565.445
Molweight	565.445
MonoisotopicMass	565.251226
CLogP	6.3997
CLogS	-6.241
H Acceptors	4
H Donors	1
TotalSurfaceArea	446.78
Relative PSA	0.088545
PolarSurfaceArea	44.7
Druglikeness	-10.419
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	twice activated DB; unwanted atom
Shape Index	0.35714
Fragments	1
Non HAtoms	42
NonCHAtoms	8
Electronegative Atoms	7
Rotatable Bond	12
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	4
Symmetricatoms	15
BasicNitrogens	1
StereoCon

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