5-amino-3-[(Z)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

Formula:C15H11N5OCl2 Mutagenic:none Tumorigenic:high Reproductive Effective:none 5-amino-3-[(Z)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile is a drug-like molecule.

MolName	5-amino-3-[(Z)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
MolecularFormula	C15H11N5OCl2
Smiles	Nc(n(CCO)nc1/C(/C#N)=C/c(ccc(Cl)c2)c2Cl)c1C#N
InChI	InChI=1S/C15H11Cl2N5O/c16-11-2-1-9(13(17)6-11)5-10(7-18)14-12(8-19)15(20)22(21-14)3-4-23/h1-2,5-6,23H,3-4,20H2
InChIK	QYYZWZLPWQVTRT-UHFFFAOYSA-N
TotalMolweight	348.192
Molweight	348.192
MonoisotopicMass	347.034064
CLogP	1.4999
CLogS	-4.764
H Acceptors	6
H Donors	2
TotalSurfaceArea	262.34
Relative PSA	0.27952
PolarSurfaceArea	111.65
Druglikeness	-0.65565
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Aromatic Nitrogens	2
StereoCon

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