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

Formula:C22H16N5O2Cl2F Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-3-[(Z)-2-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile is a drug-like molecule.

MolName	5-amino-3-[(Z)-2-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
MolecularFormula	C22H16N5O2Cl2F
Smiles	Nc(n(CCO)nc1/C(/C#N)=C/c(cc(cc2)Cl)c2OCc(c(F)ccc2)c2Cl)c1C#N
InChI	InChI=1S/C22H16Cl2FN5O2/c23-15-4-5-20(32-12-17-18(24)2-1-3-19(17)25)13(9-15)8-14(10-26)21-16(11-27)22(28)30(29-21)6-7-31/h1-5,8-9,31H,6-7,12,28H2
InChIK	LPQNXPHNECHBSN-UHFFFAOYSA-N
TotalMolweight	472.306
Molweight	472.306
MonoisotopicMass	471.066507
CLogP	2.9488
CLogS	-6.419
H Acceptors	7
H Donors	2
TotalSurfaceArea	352.21
Relative PSA	0.23659
PolarSurfaceArea	120.88
Druglikeness	-2.2121
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
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-(2-hydroxyethyl)pyrazole-4-carbonitrile | 2 - 5-amino-3-[(Z)-2-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

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