3-[(Z)-2-(2-chloro-6-fluorophenyl)-1-cyanoethenyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonitrile

Formula:C23H13N5ClF Mutagenic:none Tumorigenic:high Reproductive Effective:none 3-[(Z)-2-(2-chloro-6-fluorophenyl)-1-cyanoethenyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonitrile is a drug-like molecule.

MolName	3-[(Z)-2-(2-chloro-6-fluorophenyl)-1-cyanoethenyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonitrile
MolecularFormula	C23H13N5ClF
Smiles	N#C/C(/c(c(C#N)c1-n2cccc2)nn1-c1ccccc1)=C\c(c(F)ccc1)c1Cl
InChI	InChI=1S/C23H13ClFN5/c24-20-9-6-10-21(25)18(20)13-16(14-26)22-19(15-27)23(29-11-4-5-12-29)30(28-22)17-7-2-1-3-8-17/h1-13H
InChIK	JJTUXASHJHPLCL-UHFFFAOYSA-N
TotalMolweight	413.842
Molweight	413.842
MonoisotopicMass	413.08435
CLogP	4.7227
CLogS	-6.639
H Acceptors	5
TotalSurfaceArea	319.6
Relative PSA	0.16217
PolarSurfaceArea	70.33
Druglikeness	-2.2681
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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