4-[(E)-2-[1-[(3,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one

Formula:C23H15N4OCl2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-2-[1-[(3,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one is not a drug-like molecule.

MolName	4-[(E)-2-[1-[(3,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
MolecularFormula	C23H15N4OCl2F3
Smiles	O=C1N=C(/C=C/c2cn(Cc(cc3)cc(Cl)c3Cl)nc2-c2ccccc2)C=C(C(F)(F)F)N1
InChI	InChI=1S/C23H15Cl2F3N4O/c24-18-9-6-14(10-19(18)25)12-32-13-16(21(31-32)15-4-2-1-3-5-15)7-8-17-11-20(23(26,27)28)30-22(33)29-17/h1-11,13H,12H2,(H,29,30,33)
InChIK	NBVNJQOQUDRBFN-UHFFFAOYSA-N
TotalMolweight	491.299
Molweight	491.299
MonoisotopicMass	490.057499
CLogP	5.2082
CLogS	-7.106
H Acceptors	5
H Donors	1
TotalSurfaceArea	344.69
Relative PSA	0.15623
PolarSurfaceArea	59.28
Druglikeness	-2.5847
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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