3-[(Z)-1-cyano-2-(3,4-dichlorophenyl)ethenyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonitrile

Formula:C23H13N5Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-1-cyano-2-(3,4-dichlorophenyl)ethenyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonitrile is not a drug-like molecule.

MolName	3-[(Z)-1-cyano-2-(3,4-dichlorophenyl)ethenyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonitrile
MolecularFormula	C23H13N5Cl2
Smiles	N#C/C(/c(c(C#N)c1-n2cccc2)nn1-c1ccccc1)=C\c(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C23H13Cl2N5/c24-20-9-8-16(13-21(20)25)12-17(14-26)22-19(15-27)23(29-10-4-5-11-29)30(28-22)18-6-2-1-3-7-18/h1-13H
InChIK	RIDKLAMCSYXFLU-UHFFFAOYSA-N
TotalMolweight	430.297
Molweight	430.297
MonoisotopicMass	429.054799
CLogP	5.2279
CLogS	-7.061
H Acceptors	5
TotalSurfaceArea	328.67
Relative PSA	0.1577
PolarSurfaceArea	70.33
Druglikeness	-0.92807
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46667
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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