3-amino-5-[(Z)-2-(4-chlorophenyl)-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile

Formula:C13H8N5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-amino-5-[(Z)-2-(4-chlorophenyl)-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile is a drug-like molecule.

MolName	3-amino-5-[(Z)-2-(4-chlorophenyl)-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile
MolecularFormula	C13H8N5Cl
Smiles	Nc1n[nH]c(/C(/C#N)=C/c(cc2)ccc2Cl)c1C#N
InChI	InChI=1S/C13H8ClN5/c14-10-3-1-8(2-4-10)5-9(6-15)12-11(7-16)13(17)19-18-12/h1-5H,(H3,17,18,19)
InChIK	FGDJISSHTYYSLQ-UHFFFAOYSA-N
TotalMolweight	269.695
Molweight	269.695
MonoisotopicMass	269.046822
CLogP	1.3959
CLogS	-4.336
H Acceptors	5
H Donors	2
TotalSurfaceArea	213.42
Relative PSA	0.31557
PolarSurfaceArea	102.28
Druglikeness	-2.352
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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