(Z)-1-(benzotriazol-1-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one

Formula:C22H15N5OS Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-1-(benzotriazol-1-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(Z)-1-(benzotriazol-1-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one
MolecularFormula	C22H15N5OS
Smiles	O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)n1nnc2c1cccc2
InChI	InChI=1S/C22H15N5OS/c28-21(27-19-10-5-4-9-18(19)23-25-27)13-12-16-15-26(17-7-2-1-3-8-17)24-22(16)20-11-6-14-29-20/h1-15H
InChIK	FGWIXNXBOSNGMT-UHFFFAOYSA-N
TotalMolweight	397.461
Molweight	397.461
MonoisotopicMass	397.09973
CLogP	3.5516
CLogS	-5.162
H Acceptors	6
TotalSurfaceArea	302.01
Relative PSA	0.26506
PolarSurfaceArea	93.84
Druglikeness	-0.80631
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Symmetricatoms	2
Aromatic Nitrogens	5
StereoCon

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