5-amino-3-[(E)-2-cyano-2-(furan-2-yl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

Formula:C13H11N5O2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 5-amino-3-[(E)-2-cyano-2-(furan-2-yl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile is a drug-like molecule.

MolName	5-amino-3-[(E)-2-cyano-2-(furan-2-yl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
MolecularFormula	C13H11N5O2
Smiles	Nc(n(CCO)nc1/C=C(/c2ccco2)\C#N)c1C#N
InChI	InChI=1S/C13H11N5O2/c14-7-9(12-2-1-5-20-12)6-11-10(8-15)13(16)18(17-11)3-4-19/h1-2,5-6,19H,3-4,16H2
InChIK	FCDXDKVPVSXBQM-UHFFFAOYSA-N
TotalMolweight	269.263
Molweight	269.263
MonoisotopicMass	269.091275
CLogP	-0.5234
CLogS	-2.974
H Acceptors	7
H Donors	2
TotalSurfaceArea	221.19
Relative PSA	0.39532
PolarSurfaceArea	124.79
Druglikeness	-0.99046
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	4
Aromatic Nitrogens	2
StereoCon

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