(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide

Formula:C26H17N4OF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
MolecularFormula	C26H17N4OF3
Smiles	N#C/C(/C(Nc1c(C(F)(F)F)cccc1)=O)=C\c1cn(-c2ccccc2)nc1-c1ccccc1
InChI	InChI=1S/C26H17F3N4O/c27-26(28,29)22-13-7-8-14-23(22)31-25(34)19(16-30)15-20-17-33(21-11-5-2-6-12-21)32-24(20)18-9-3-1-4-10-18/h1-15,17H,(H,31,34)
InChIK	ARMJLQWUTBPEJN-UHFFFAOYSA-N
TotalMolweight	458.442
Molweight	458.442
MonoisotopicMass	458.135445
CLogP	4.7556
CLogS	-6.061
H Acceptors	5
H Donors	1
TotalSurfaceArea	345.59
Relative PSA	0.16175
PolarSurfaceArea	70.71
Druglikeness	-6.718
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.44118
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
StereoCon

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