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

Formula:C19H13N5O2F2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 5-amino-3-[(Z)-1-cyano-2-[5-(2,4-difluorophenyl)furan-2-yl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile is a drug-like molecule.

MolName	5-amino-3-[(Z)-1-cyano-2-[5-(2,4-difluorophenyl)furan-2-yl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
MolecularFormula	C19H13N5O2F2
Smiles	Nc(n(CCO)nc1/C(/C#N)=C/c2ccc(-c(ccc(F)c3)c3F)o2)c1C#N
InChI	InChI=1S/C19H13F2N5O2/c20-12-1-3-14(16(21)8-12)17-4-2-13(28-17)7-11(9-22)18-15(10-23)19(24)26(25-18)5-6-27/h1-4,7-8,27H,5-6,24H2
InChIK	ONXIFSZMIKJHIL-UHFFFAOYSA-N
TotalMolweight	381.341
Molweight	381.341
MonoisotopicMass	381.103731
CLogP	1.4284
CLogS	-5.38
H Acceptors	7
H Donors	2
TotalSurfaceArea	293.65
Relative PSA	0.29777
PolarSurfaceArea	124.79
Druglikeness	-1.1417
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Aromatic Nitrogens	2
StereoCon

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