5-amino-3-[(Z)-1-cyano-2-[5-(2,4,5-trichlorophenyl)furan-2-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile

Formula:C23H12N5OCl3 Mutagenic:high Tumorigenic:high Reproductive Effective:high 5-amino-3-[(Z)-1-cyano-2-[5-(2,4,5-trichlorophenyl)furan-2-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile is a drug-like molecule.

MolName	5-amino-3-[(Z)-1-cyano-2-[5-(2,4,5-trichlorophenyl)furan-2-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile
MolecularFormula	C23H12N5OCl3
Smiles	Nc(n(-c1ccccc1)nc1/C(/C#N)=C/c2ccc(-c(c(Cl)c3)cc(Cl)c3Cl)o2)c1C#N
InChI	InChI=1S/C23H12Cl3N5O/c24-18-10-20(26)19(25)9-16(18)21-7-6-15(32-21)8-13(11-27)22-17(12-28)23(29)31(30-22)14-4-2-1-3-5-14/h1-10H,29H2
InChIK	GIGJSNLYSLRZOF-UHFFFAOYSA-N
TotalMolweight	480.741
Molweight	480.741
MonoisotopicMass	479.010741
CLogP	4.822
CLogS	-8.43
H Acceptors	6
H Donors	1
TotalSurfaceArea	353.1
Relative PSA	0.21054
PolarSurfaceArea	104.56
Druglikeness	-0.39771
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	polyhalo aromatic ring
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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