5-amino-3-[(Z)-2-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile

Formula:C26H16N5OCl2F Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-3-[(Z)-2-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile is not a drug-like molecule.

MolName	5-amino-3-[(Z)-2-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
MolecularFormula	C26H16N5OCl2F
Smiles	Nc(n(-c1ccccc1)nc1/C(/C#N)=C/c(cc(cc2)Cl)c2OCc(c(F)ccc2)c2Cl)c1C#N
InChI	InChI=1S/C26H16Cl2FN5O/c27-18-9-10-24(35-15-21-22(28)7-4-8-23(21)29)16(12-18)11-17(13-30)25-20(14-31)26(32)34(33-25)19-5-2-1-3-6-19/h1-12H,15,32H2
InChIK	OZTRVPUNNMHQPL-UHFFFAOYSA-N
TotalMolweight	504.351
Molweight	504.351
MonoisotopicMass	503.071592
CLogP	4.726
CLogS	-7.889
H Acceptors	6
H Donors	1
TotalSurfaceArea	378.1
Relative PSA	0.18574
PolarSurfaceArea	100.65
Druglikeness	-2.9343
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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1 - 5-amino-3-[(Z)-2-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile | 2 - 5-amino-3-[(Z)-2-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile

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