(E)-2-(1,3-benzothiazol-2-yl)-3-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]prop-2-enenitrile

Formula:C23H14N4OS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-yl)-3-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
MolecularFormula	C23H14N4OS
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\c1cn(-c2ccccc2)nc1-c1ccco1
InChI	InChI=1S/C23H14N4OS/c24-14-16(23-25-19-9-4-5-11-21(19)29-23)13-17-15-27(18-7-2-1-3-8-18)26-22(17)20-10-6-12-28-20/h1-13,15H
InChIK	OTGQKCQPCDRFHF-UHFFFAOYSA-N
TotalMolweight	394.457
Molweight	394.457
MonoisotopicMass	394.088831
CLogP	3.4845
CLogS	-4.756
H Acceptors	5
TotalSurfaceArea	305.91
Relative PSA	0.25118
PolarSurfaceArea	95.88
Druglikeness	-1.0724
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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