3-amino-5-[(Z)-1-cyano-2-(5-phenylfuran-2-yl)ethenyl]-1H-pyrazole-4-carbonitrile

Formula:C17H11N5O Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-amino-5-[(Z)-1-cyano-2-(5-phenylfuran-2-yl)ethenyl]-1H-pyrazole-4-carbonitrile is a drug-like molecule.

MolName	3-amino-5-[(Z)-1-cyano-2-(5-phenylfuran-2-yl)ethenyl]-1H-pyrazole-4-carbonitrile
MolecularFormula	C17H11N5O
Smiles	Nc1n[nH]c(/C(/C#N)=C/c2ccc(-c3ccccc3)o2)c1C#N
InChI	InChI=1S/C17H11N5O/c18-9-12(16-14(10-19)17(20)22-21-16)8-13-6-7-15(23-13)11-4-2-1-3-5-11/h1-8H,(H3,20,21,22)
InChIK	DUDXJAASMXZEER-UHFFFAOYSA-N
TotalMolweight	301.308
Molweight	301.308
MonoisotopicMass	301.09636
CLogP	1.7288
CLogS	-5.06
H Acceptors	6
H Donors	2
TotalSurfaceArea	247.45
Relative PSA	0.3292
PolarSurfaceArea	115.42
Druglikeness	-1.3685
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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