(E)-2-(1,3-benzothiazol-2-yl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enenitrile

Formula:C24H15N5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-yl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-yl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enenitrile
MolecularFormula	C24H15N5S
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\c1cn(-c2ccccc2)nc1-c1ccncc1
InChI	InChI=1S/C24H15N5S/c25-15-18(24-27-21-8-4-5-9-22(21)30-24)14-19-16-29(20-6-2-1-3-7-20)28-23(19)17-10-12-26-13-11-17/h1-14,16H
InChIK	XQVUYEUMMLDJFB-UHFFFAOYSA-N
TotalMolweight	405.484
Molweight	405.484
MonoisotopicMass	405.104815
CLogP	3.2579
CLogS	-4.611
H Acceptors	5
TotalSurfaceArea	314.98
Relative PSA	0.23398
PolarSurfaceArea	95.63
Druglikeness	-0.64026
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Symmetricatoms	4
Aromatic Nitrogens	4
StereoCon

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