3-[1-phenyl-4-[(E)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]pyrazol-3-yl]chromen-2-one

Formula:C27H17N3O2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:low 3-[1-phenyl-4-[(E)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]pyrazol-3-yl]chromen-2-one is a drug-like molecule.

MolName	3-[1-phenyl-4-[(E)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]pyrazol-3-yl]chromen-2-one
MolecularFormula	C27H17N3O2S2
Smiles	O=C1Oc(cccc2)c2C=C1c(c(/C=C/c1nc(-c2cccs2)cs1)c1)nn1-c1ccccc1
InChI	InChI=1S/C27H17N3O2S2/c31-27-21(15-18-7-4-5-10-23(18)32-27)26-19(16-30(29-26)20-8-2-1-3-9-20)12-13-25-28-22(17-34-25)24-11-6-14-33-24/h1-17H
InChIK	GPFZYRGJTFHTCB-UHFFFAOYSA-N
TotalMolweight	479.583
Molweight	479.583
MonoisotopicMass	479.076217
CLogP	4.7862
CLogS	-5.951
H Acceptors	5
TotalSurfaceArea	356.36
Relative PSA	0.25977
PolarSurfaceArea	113.49
Druglikeness	5.7864
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.47059
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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