3-[4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-1-phenylpyrazol-3-yl]chromen-2-one

Formula:C29H18N3O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:low 3-[4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-1-phenylpyrazol-3-yl]chromen-2-one is a drug-like molecule.

MolName	3-[4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-1-phenylpyrazol-3-yl]chromen-2-one
MolecularFormula	C29H18N3O2FS
Smiles	O=C1Oc(cccc2)c2C=C1c(c(/C=C/c1nc(-c(cc2)ccc2F)cs1)c1)nn1-c1ccccc1
InChI	InChI=1S/C29H18FN3O2S/c30-22-13-10-19(11-14-22)25-18-36-27(31-25)15-12-21-17-33(23-7-2-1-3-8-23)32-28(21)24-16-20-6-4-5-9-26(20)35-29(24)34/h1-18H
InChIK	LNDPSJLYDRNTGU-UHFFFAOYSA-N
TotalMolweight	491.545
Molweight	491.545
MonoisotopicMass	491.110375
CLogP	4.8635
CLogS	-6.344
H Acceptors	5
TotalSurfaceArea	366.77
Relative PSA	0.19688
PolarSurfaceArea	85.25
Druglikeness	3.7357
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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