(Z)-1-(4-benzhydrylpiperazin-1-yl)-2,2,2-trifluoro-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]ethanimine

Formula:C27H23N3O2F6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-(4-benzhydrylpiperazin-1-yl)-2,2,2-trifluoro-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]ethanimine is not a drug-like molecule.

MolName	(Z)-1-(4-benzhydrylpiperazin-1-yl)-2,2,2-trifluoro-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]ethanimine
MolecularFormula	C27H23N3O2F6
Smiles	FC(C1(/N=C(/C(F)(F)F)\N(CC2)CCN2C(c2ccccc2)c2ccccc2)Oc(cccc2)c2O1)(F)F
InChI	InChI=1S/C27H23F6N3O2/c28-25(29,30)24(34-27(26(31,32)33)37-21-13-7-8-14-22(21)38-27)36-17-15-35(16-18-36)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2
InChIK	QKXSYMGOKPGHIR-UHFFFAOYSA-N
TotalMolweight	535.487
Molweight	535.487
MonoisotopicMass	535.169445
CLogP	7.0121
CLogS	-5.406
H Acceptors	5
TotalSurfaceArea	366.22
Relative PSA	0.10543
PolarSurfaceArea	37.3
Druglikeness	-6.9284
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.42105
Fragments	1
Non HAtoms	38
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	11
Symmetricatoms	18
Amines	1
AlkylAmines	1
BasicNitrogens	2
StereoCon

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1 - (Z)-1-(4-benzhydrylpiperazin-1-yl)-2,2,2-trifluoro-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]ethanimine | 2 - (Z)-1-(4-benzhydrylpiperazin-1-yl)-2,2,2-trifluoro-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]ethanimine

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