4-[(E)-2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one

Formula:C16H10N4OClF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one is a drug-like molecule.

MolName	4-[(E)-2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
MolecularFormula	C16H10N4OClF3
Smiles	O=C1N=C(/C=C/c2c(-c(cc3)ccc3Cl)[nH]nc2)C=C(C(F)(F)F)N1
InChI	InChI=1S/C16H10ClF3N4O/c17-11-4-1-9(2-5-11)14-10(8-21-24-14)3-6-12-7-13(16(18,19)20)23-15(25)22-12/h1-8H,(H,21,24)(H,22,23,25)
InChIK	NONZLGKVZLPYQD-UHFFFAOYSA-N
TotalMolweight	366.729
Molweight	366.729
MonoisotopicMass	366.049522
CLogP	3.076
CLogS	-5.386
H Acceptors	5
H Donors	2
TotalSurfaceArea	256.12
Relative PSA	0.23805
PolarSurfaceArea	70.14
Druglikeness	-3.2945
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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