5-amino-3-[(Z)-2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile

Formula:C24H13N5OClF3 Mutagenic:high Tumorigenic:high Reproductive Effective:none 5-amino-3-[(Z)-2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile is a drug-like molecule.

MolName	5-amino-3-[(Z)-2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
MolecularFormula	C24H13N5OClF3
Smiles	Nc(n(-c1ccccc1)nc1/C(/C#N)=C/c2ccc(-c(cc(C(F)(F)F)cc3)c3Cl)o2)c1C#N
InChI	InChI=1S/C24H13ClF3N5O/c25-20-8-6-15(24(26,27)28)11-18(20)21-9-7-17(34-21)10-14(12-29)22-19(13-30)23(31)33(32-22)16-4-2-1-3-5-16/h1-11H,31H2
InChIK	FQFJDIMYKCLAMH-UHFFFAOYSA-N
TotalMolweight	479.848
Molweight	479.848
MonoisotopicMass	479.076071
CLogP	4.4583
CLogS	-7.736
H Acceptors	6
H Donors	1
TotalSurfaceArea	351.72
Relative PSA	0.21136
PolarSurfaceArea	104.56
Druglikeness	-7.5877
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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1 - 5-amino-3-[(Z)-2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile | 2 - 5-amino-3-[(Z)-2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile

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