2-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole

Formula:C24H18N2ClF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole is not a drug-like molecule.

MolName	2-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole
MolecularFormula	C24H18N2ClF3
Smiles	FC(c(cc1)cc(N(C(C2)c3ccccc3)N=C2/C=C/c2ccccc2)c1Cl)(F)F
InChI	InChI=1S/C24H18ClF3N2/c25-21-14-12-19(24(26,27)28)15-23(21)30-22(18-9-5-2-6-10-18)16-20(29-30)13-11-17-7-3-1-4-8-17/h1-15,22H,16H2/t22-/m0/s1
InChIK	BWXBGYOYBJHZGE-QFIPXVFZSA-N
TotalMolweight	426.868
Molweight	426.868
MonoisotopicMass	426.111059
CLogP	7.1263
CLogS	-6.209
H Acceptors	2
TotalSurfaceArea	310.19
Relative PSA	0.048551
PolarSurfaceArea	15.6
Druglikeness	-4.3189
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	6
StereoCon	racemate

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