5-amino-3-[(Z)-1-cyano-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile

Formula:C26H17N5OCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 5-amino-3-[(Z)-1-cyano-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile is a drug-like molecule.

MolName	5-amino-3-[(Z)-1-cyano-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile
MolecularFormula	C26H17N5OCl2
Smiles	Nc(n(-c1ccccc1)nc1/C(/C#N)=C/c(cc2)ccc2OCc(ccc(Cl)c2)c2Cl)c1C#N
InChI	InChI=1S/C26H17Cl2N5O/c27-20-9-8-18(24(28)13-20)16-34-22-10-6-17(7-11-22)12-19(14-29)25-23(15-30)26(31)33(32-25)21-4-2-1-3-5-21/h1-13H,16,31H2
InChIK	YLZBDSJAYAXGKC-UHFFFAOYSA-N
TotalMolweight	486.361
Molweight	486.361
MonoisotopicMass	485.081014
CLogP	4.6252
CLogS	-7.575
H Acceptors	6
H Donors	1
TotalSurfaceArea	371.75
Relative PSA	0.18892
PolarSurfaceArea	100.65
Druglikeness	-1.5943
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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