(E)-3-[3,4-bis(phenylmethoxy)phenyl]-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile

Formula:C36H26N2O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3,4-bis(phenylmethoxy)phenyl]-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-[3,4-bis(phenylmethoxy)phenyl]-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile
MolecularFormula	C36H26N2O2S
Smiles	N#C/C(/c1nc(-c2cc3ccccc3cc2)cs1)=C\c(cc1)cc(OCc2ccccc2)c1OCc1ccccc1
InChI	InChI=1S/C36H26N2O2S/c37-22-32(36-38-33(25-41-36)31-17-16-29-13-7-8-14-30(29)21-31)19-28-15-18-34(39-23-26-9-3-1-4-10-26)35(20-28)40-24-27-11-5-2-6-12-27/h1-21,25H,23-24H2
InChIK	SPBLRODBMKAPEN-UHFFFAOYSA-N
TotalMolweight	550.68
Molweight	550.68
MonoisotopicMass	550.171498
CLogP	7.8035
CLogS	-8.725
H Acceptors	4
TotalSurfaceArea	435.54
Relative PSA	0.14899
PolarSurfaceArea	83.38
Druglikeness	-1.9402
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5122
Fragments	1
Non HAtoms	41
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	9
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	33
Sp3Atoms	4
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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