(Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(4-phenylphenyl)prop-2-enenitrile

Formula:C21H16N2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(4-phenylphenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(4-phenylphenyl)prop-2-enenitrile
MolecularFormula	C21H16N2S
Smiles	N#C/C(/c1nc(C2CC2)cs1)=C/c(cc1)ccc1-c1ccccc1
InChI	InChI=1S/C21H16N2S/c22-13-19(21-23-20(14-24-21)18-10-11-18)12-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,12,14,18H,10-11H2
InChIK	XGRVKAXEGDQRJD-UHFFFAOYSA-N
TotalMolweight	328.438
Molweight	328.438
MonoisotopicMass	328.103418
CLogP	4.9867
CLogS	-5.726
H Acceptors	2
TotalSurfaceArea	260.42
Relative PSA	0.17238
PolarSurfaceArea	64.92
Druglikeness	-1.0091
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	5
Aromatic Nitrogens	1
StereoCon

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