cyanomethyl (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate

Formula:C18H13N3O2S Mutagenic:high Tumorigenic:none Reproductive Effective:high cyanomethyl (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate is a drug-like molecule.

MolName	cyanomethyl (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate
MolecularFormula	C18H13N3O2S
Smiles	N#CCOC(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)=O
InChI	InChI=1S/C18H13N3O2S/c19-10-11-23-17(22)9-8-14-13-21(15-5-2-1-3-6-15)20-18(14)16-7-4-12-24-16/h1-9,12-13H,11H2
InChIK	QGIPUCSAQWWQOQ-UHFFFAOYSA-N
TotalMolweight	335.386
Molweight	335.386
MonoisotopicMass	335.072847
CLogP	2.4962
CLogS	-4.009
H Acceptors	5
TotalSurfaceArea	266.4
Relative PSA	0.28078
PolarSurfaceArea	96.15
Druglikeness	-2.3444
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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